NPs Basic Information

Name
N,N-Dimethylformamide
Molecular Formula C3H7NO
IUPAC Name*
N,N-dimethylformamide
SMILES
CN(C)C=O
InChI
InChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
InChIKey
ZMXDDKWLCZADIW-UHFFFAOYSA-N
Synonyms
N,N-DIMETHYLFORMAMIDE; Dimethylformamide; 68-12-2; Dimethyl formamide; N,N-Dimethylmethanamide; N-Formyldimethylamine; Formamide, N,N-dimethyl-; Dimethylformamid; DMF; DMFA; Dimetilformamide; Dwumetyloformamid; Formyldimethylamine; N,N-Dimethyl formamide; Dimethylforamide; Dimetylformamidu; DMF (amide); NCI-C60913; dimethyl-Formamide; Dimethylamid kyseliny mravenci; U-4224; n,n-dimethyl-Formamide; N, N-dimethylformamide; N,N- Dimethylformamide; N,N-Dimethylformaldehyde; NSC-5356; MFCD00003284; DTXSID6020515; CHEBI:17741; NSC5356; 8696NH0Y2X; DSSTox_CID_515; DSSTox_RID_75636; DSSTox_GSID_20515; n,n,dimethylformamide; N,N-Dimethylformamid; N,N Dimethylformamide; Caswell No. 366A; N,N-Dimethylformamide, HPLC Grade; Dimetylformamidu [Czech]; Dimethylformamid [German]; Dimetilformamide [Italian]; Dwumetyloformamid [Polish]; CAS-68-12-2; HSDB 78; N,N-Dimetilformamida; CCRIS 1638; N,N-Dimetilformamida [Spanish]; N,N-Dimethylformamide, for HPLC, >=99.9%; N,N-Dimethylformamide, ACS reagent, >=99.8%; N, N-dimethyl formamide; NSC 5356; Formic acid, amide, N,N-dimethyl-; EINECS 200-679-5; UN2265; Dimethylamid kyseliny mravenci [Czech]; EPA Pesticide Chemical Code 366200; dimethlforamide; dimethlformamide; dimethyformamide; dimetylformamide; UNII-8696NH0Y2X; dimehtylformamide; dimethlyformamide; dimethyiformamide; AI3-03311; dimethy formamide; dimethy1formamide; dimethyl foramide; dimethyl formamid; dimehtylformarnide; dimethylformarnide; dimethylforrnamide; dirnethylformamide; di-methylformamide; dimethylf ormamide; dimethylform amide; dimethylform-amide; dimethylformamid e; dimethylformamide-; dirnethylformarnide; n-dimethylformamide; dimethyl form-amide; dimethyl- formamide; dimethylfor- mamide; DMF,SP Grade; N,n-dimethylforamide; formamide, dimethyl-; N,N-dimethlformamide; N,N-dimethyformamide; N,N-dimetylformamide; n,n.dimethylformamide; N,N'dimethylformamide; N,N-dimethvlformamide; N.N-dimethylformamide; HCONMe2; Formamide,N-dimethyl-; N, N-dimethylforamide; N,N'-dimethylforamide; N,N-dimethl formamide; N,N-dimethy formamide; N,N-dimethyl foramide; N,N-dimethyl formamid; N,N-dimethylformarnide; N,N-dimethylforrnamide; N,N-dimetyl formamide; N,N-dirnethylformamide; n,n,-dimethylformamide; Dimethylformamide, DMF; DMF, Dimethylformamide; N, N dimethylformamide; N,N -dimethylformamide; N,N dimethyl formamide; N,N' dimethylformamide; N,N-di methylformamide; N,N-di-methylformamide; N,N-dime-thylformamide; N,N-dimehtyl formamide; N,N-dimethylfor mamide; N,N-dimethylfor-mamide; N,N-dimethylform-amide; N,N-dimethylformamide-; N,N-di-methylforrnamide; Dimethyl Fornamide,(S); DMF (dimethylformamide); n,n,-dimethyl formamide; N, N'-dimethylformamide; N, N- dimethylformamide; N, N-di-methylformamide; N, N-dimethyl-formamide; N,N- dimethyl formamide; N,N-di-methyl formamide; N,N-di-methyl-formamide; N,N-dimethyl -formamide; N,N-dimethyl- formamide; N, N-dimethylformaldehyde; bmse000709; EC 200-679-5; D.M.F; HCON(CH3)2; Dynasolve 100 (Salt/Mix); BIDD:ER0600; WLN: VHN1&1; CHEMBL268291; D.M.F.; N,N-Dimethylformamide, 99.8%; N,N-Dimethylformamide, anhydrous; DIMETHYLFORMAMIDE [MART.]; N,N-Dimethylformamide HPLC grade; N,N-Dimethylformamide, ACS grade; ZINC901648; N,N-DIMETHYLFORMAMIDE [MI]; Dimethylformamide Reagent Grade ACS; Tox21_201259; Tox21_300039; N,N-DIMETHYLFORMAMIDE [HSDB]; N,N-DIMETHYLFORMAMIDE [IARC]; N,N-Dimethylformamide, biotech grade; s6192; STL264197; N,N-Dimethylformamide, LR, >=99%; AKOS000121096; FORMIN ACID,AMIDE,N,N-DIMETHYL; DB01844; N,N-DIMETHYLFORMAMIDE [USP-RS]; N,N-DIMETHYLFORMAMIDE [WHO-DD]; UN 2265; N,N-Dimethylformamide, p.a., 99.8%; N,N-Dimethylformamide, AR, >=99.5%; NCGC00090785-01; NCGC00090785-02; NCGC00090785-03; NCGC00090785-04; NCGC00090785-05; NCGC00254093-01; NCGC00258811-01; Dimethylformamide, n,n- Reagent Grade ACS; N,N-Dimethylformamide, analytical standard; N,N-Dimethylformamide, anhydrous, 99.8%; D0722; D0939; FT-0629532; FT-0629533; FT-0639029; FT-0696040; N,N-Dimethylformamide, anhydrous, amine free; N,N-Dimethylformamide, for HPLC, >=99.5%; C03134; N,N-Dimethylformamide, Spectrophotometric Grade; N,N-Dimethylformamide, AldraSORB(TM), 99.8%; N,N-Dimethylformamide, ReagentPlus(R), >=99%; A836012; N,N-Dimethylformamide, biotech. grade, >=99.9%; Q409298; N,N-Dimethylformamide, p.a., ACS reagent, 99.8%; N,N-Dimethylformamide, SAJ first grade, >=99.0%; N,N-Dimethylformamide [UN2265] [Flammable liquid]; N,N-Dimethylformamide, anhydrous, ZerO2(TM), 99.8%; N,N-Dimethylformamide, for molecular biology, >=99%; N,N-Dimethylformamide, JIS special grade, >=99.5%; N,N-Dimethylformamide, UV HPLC spectroscopic, 99.7%; N,N-Dimethylformamide, ACS spectrophotometric grade, >=99.8%; N,N-Dimethylformamide HPLC, UV-IR min. 99.9%, isocratic grade; N,N-Dimethylformamide, Vetec(TM) reagent grade, anhydrous, >=99.8%; Dimethylformamide, Pharmaceutical Secondary Standard; Certified Reference Material; N,N-Dimethylformamide, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.8%; N,N-Dimethylformamide, puriss. p.a., ACS reagent, reag. Ph. Eur., >=99.8% (GC); N,N-Dimethylformamide, suitable for neutral marker for measuring electroosmotic flow (EOF), ~99%
CAS 68-12-2
PubChem CID 6228
ChEMBL ID CHEMBL268291
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Organic acids and derivat
      • Class: Carboxylic acids and deri
        • Subclass: Carboxylic acid derivativ
          • Direct Parent: Tertiary carboxylic acid

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference
Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name
Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name

NPs Physi-Chem Properties

Molecular Weight: 73.09 ALogp: -1.0
HBD: 0 HBA: 1
Rotatable Bonds: 0 Lipinski's rule of five: Accepted
Polar Surface Area: 20.3 Aromatic Rings: 0
Heavy Atoms: 5 QED Weighted: 0.404

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -4.476 MDCK Permeability: 0.00033874
Pgp-inhibitor: 0 Pgp-substrate: 0.215
Human Intestinal Absorption (HIA): 0.044 20% Bioavailability (F20%): 0.006
30% Bioavailability (F30%): 0.166

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.506 Plasma Protein Binding (PPB): 11.17%
Volume Distribution (VD): 1.582 Fu: 89.55%

ADMET: Metabolism

CYP1A2-inhibitor: 0.032 CYP1A2-substrate: 0.537
CYP2C19-inhibitor: 0.041 CYP2C19-substrate: 0.227
CYP2C9-inhibitor: 0.008 CYP2C9-substrate: 0.483
CYP2D6-inhibitor: 0.012 CYP2D6-substrate: 0.685
CYP3A4-inhibitor: 0.004 CYP3A4-substrate: 0.146

ADMET: Excretion

Clearance (CL): 4.78 Half-life (T1/2): 0.757

ADMET: Toxicity

hERG Blockers: 0.013 Human Hepatotoxicity (H-HT): 0.049
Drug-inuced Liver Injury (DILI): 0.054 AMES Toxicity: 0.016
Rat Oral Acute Toxicity: 0.024 Maximum Recommended Daily Dose: 0.218
Skin Sensitization: 0.158 Carcinogencity: 0.029
Eye Corrosion: 0.898 Eye Irritation: 0.895
Respiratory Toxicity: 0.021
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs Similar Drugs
NPs ID NPs 2D Structure Similarity Score TTD ID Drug 2D Structure Similarity Score
ENC001629 0.238 D08HVE 0.188
ENC000019 0.214 D0D7LA 0.179
ENC001053 0.208 D06AAP 0.151
ENC000619 0.192 D0Y7ZU 0.150
ENC000524 0.174 D0O2WB 0.150
ENC002437 0.167 D09UXE 0.147
ENC000132 0.167 D08USJ 0.128
ENC000313 0.167 D0A7MY 0.121
ENC000879 0.167 D0F1GS 0.120
ENC000713 0.158 D0Z4NI 0.120
*Note: the compound similarity was calculated by RDKIT.