NPs Basic Information

Name
Phenacetin
Molecular Formula C10H13NO2
IUPAC Name*
N-(4-ethoxyphenyl)acetamide
SMILES
CCOC1=CC=C(C=C1)NC(=O)C
InChI
InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)
InChIKey
CPJSUEIXXCENMM-UHFFFAOYSA-N
Synonyms
phenacetin; N-(4-Ethoxyphenyl)acetamide; 62-44-2; Acetophenetidin; Acetphenetidin; Acetophenetidine; Acetophenetin; Phenacetine; p-Acetophenetidide; Phenazetin; Achrocidin; Phenacetinum; Fenidina; Kalmin; 4'-Ethoxyacetanilide; Contradouleur; Codempiral; Commotional; Contradol; 4-Ethoxyacetanilide; Acetamide, N-(4-ethoxyphenyl)-; p-Acetophenetidine; Fenacetina; Pertonal; Phenacet; Phenacitin; Phenedina; Phenidin; Pyraphen; Fenina; p-Ethoxyacetanilide; Phenin; p-Acetophenetide; p-Acetphenetidin; Phenazetina; Tetracydin; Clistanol; Coriforte; Daprisal; Dasikon; Dolostop; Edrisal; Empiral; Emprazil; Epragen; Fortacyl; Gelonida; Gewodin; Helvagit; Hocophen; Melabon; Melaforte; Pamprin; Paramette; Paratodol; Phenodyne; Pyrroxate; Quadronal; Salgydal; Sanalgine; Saridon; Seranex; Sinedal; Sinubid; Sinutab; Stellacyl; Synalogos; Treupel; Veganine; Anapac; Fenia; Malex; Tacol; Viden; Xaril; Acetylphenetidin; para-Phenacetin; Bromo seltzer; Kafa; Phenaphen plus; Robaxisal-ph; Aceto-4-phenetidine; Citra-fort; Super Anahist; Dasin ch; Emprazil-C; Acet-p-phenalide; Coryban-D; Paracetophenetidin; Hjorton'S powder; Acet-p-phenetidin; Thephorin A-C; N-Acetyl-p-phenetidine; Buff-A-Comp; Para-acetphenetidin; 1-Acetamido-4-ethoxybenzene; Fiorinal; Sinutabs; Aceto-para-phenalide; para-Acetophenetidide; Darvon compound; Acetanilide, 4'-ethoxy-; Synalgos-dc; p-Phenetidine, N-acetyl-; Aceto-para-phenetidide; Fenacetin [Czech]; Rcra waste number U187; para-Acetophenetidine; Fenacetin; para-Ethoxyacetanilide; Fenacetina [INN-Spanish]; Acetamide, N-(4-ethoxyphenol)-; N-para-Ethoxyphenylacetamide; CCRIS 496; HSDB 3152; N-Acetyl-4-ethoxyaniline; p-Ethoxyanilid kyseliny octove; p-Ethoxyanilid kyseliny octove [Czech]; BRN 1869238; Acetic acid amide, N-(4-ethoxyphenyl)-; AI3-00783; NSC-7651; 4-(Acetylamino)phenetole; ER0CTH01H9; Dolviran; 4-Ethoxy-1-acetylaminobenzene; CHEBI:8050; 69323-74-6; N-[4-(ethyloxy)phenyl]acetamide; Phenacetin Melting Point Standard; 40674-52-0; CAS-62-44-2; NCGC00016281-06; DSSTox_CID_1116; DSSTox_RID_75948; DSSTox_GSID_21116; Acetamide, N-(4-ethoxyphenyl)-, labeled with tritium; N-Acetyl-para-phenetidine; Phenacetine [INN-French]; Phenacetinum [INN-Latin]; SMR000752916; 1-Acetyl-p-phenetidin; SR-01000787183; NSC 7651; EINECS 200-533-0; RCRA waste no. U187; UNII-ER0CTH01H9; Terracydin; Phenacetin [USP:INN:JAN]; N-(4-ethoxyphenyl)-acetamide; Zactirin compound; p-Acetophenetitide; Prestwick_862; Phenacetin, 97%; 4-Ethoxy-acetanilid; N-acetylphenetylamine; MFCD00009094; 4-Ethoxy-acetanilide; ASA COMPOUND; Butigetic (Salt/Mix); Spectrum_000782; Acetanilide, p-ethoxy-; PHENACETIN [MI]; Phenacetin (JAN/INN); Phenacetin-ethoxy-[d5]; N-Acetyl-p-ethoxyaniline; PHENACETIN [INN]; PHENACETIN [JAN]; Prestwick0_000533; Prestwick1_000533; Prestwick2_000533; Prestwick3_000533; Spectrum2_001940; Spectrum3_001404; Spectrum4_000515; Spectrum5_001902; PHENACETIN [HSDB]; PHENACETIN [IARC]; PHENACETIN [INCI]; p-Acetophenetidide (8CI); PHENACETIN [VANDF]; PHENACETINUM [HPUS]; PHENACETIN [MART.]; WLN: 2OR DMV1; PHENACETIN [USP-RS]; PHENACETIN [WHO-DD]; SCHEMBL23280; 4'-Ethoxyacetanilide, 97%; BSPBio_000545; BSPBio_003048; KBioGR_001089; KBioSS_001262; N-(4-ethoxyphenyl)ethanamide; ZINC602; MLS001304971; MLS002153862; MLS002303055; CHEMBL16073; DivK1c_000580; P-A-C Compound (Salt/Mix); SPECTRUM1500642; SPBio_001979; SPBio_002466; BPBio1_000601; GTPL7402; DTXSID1021116; SCHEMBL20476396; HMS501M22; KBio1_000580; KBio2_001262; KBio2_003830; KBio2_006398; KBio3_002268; NSC7651; NINDS_000580; HMS1569L07; HMS1921M21; HMS2092E14; HMS2096L07; HMS2234P11; HMS3373I02; HMS3651N07; HMS3713L07; HMS3884H10; Pharmakon1600-01500642; BCP09084; HY-B0476; Phenacetin, >=98.0% (HPLC); Tox21_110347; Tox21_201926; Tox21_302895; BDBM50420191; CCG-39439; NSC757401; STK011463; AKOS000370201; Phenacetin 1.0 mg/ml in Acetonitrile; Tox21_110347_1; DB03783; NSC-757401; IDI1_000580; Acetamide, N-(4-ethoxyphenyl)- (9CI); NCGC00016281-01; NCGC00016281-02; NCGC00016281-03; NCGC00016281-04; NCGC00016281-05; NCGC00016281-07; NCGC00016281-08; NCGC00016281-11; NCGC00091376-01; NCGC00091376-02; NCGC00091376-03; NCGC00091376-04; NCGC00091376-05; NCGC00256345-01; NCGC00259475-01; AC-28909; SBI-0051571.P002; DB-054164; Phenacetin, Vetec(TM) reagent grade, 98%; AB00052135; FT-0631277; FT-0673664; P1669; S2577; SW196989-3; BIM-0051571.0001; C07591; D00569; D84419; EN300-178258; AB00052135_10; AB00052135_11; A833774; AE-848/04969036; Q419175; Phenacetin (136 degrees C) Melting Point Standard; SR-01000787183-2; SR-01000787183-3; BRD-K38323065-001-05-8; BRD-K38323065-001-09-0; Z27807932; Acetophenetidine Acetophenidin Acetylphenetidine Phenacetin; Phenacetin, United States Pharmacopeia (USP) Reference Standard; Phenacetin Melting Point Standard, United States Pharmacopeia (USP) Reference Standard; N4E; Phenacetin melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material
CAS 62-44-2
PubChem CID 4754
ChEMBL ID CHEMBL16073
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Benzenoids
      • Class: Benzene and substituted d
        • Subclass: Anilides
          • Direct Parent: Acetanilides

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: 179.22 ALogp: 1.6
HBD: 1 HBA: 2
Rotatable Bonds: 3 Lipinski's rule of five: Accepted
Polar Surface Area: 38.3 Aromatic Rings: 1
Heavy Atoms: 13 QED Weighted: 0.774

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -4.298 MDCK Permeability: 0.00001710
Pgp-inhibitor: 0.003 Pgp-substrate: 0.063
Human Intestinal Absorption (HIA): 0.003 20% Bioavailability (F20%): 0.003
30% Bioavailability (F30%): 0.993

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.452 Plasma Protein Binding (PPB): 33.05%
Volume Distribution (VD): 0.995 Fu: 46.67%

ADMET: Metabolism

CYP1A2-inhibitor: 0.841 CYP1A2-substrate: 0.94
CYP2C19-inhibitor: 0.479 CYP2C19-substrate: 0.824
CYP2C9-inhibitor: 0.065 CYP2C9-substrate: 0.843
CYP2D6-inhibitor: 0.033 CYP2D6-substrate: 0.876
CYP3A4-inhibitor: 0.023 CYP3A4-substrate: 0.733

ADMET: Excretion

Clearance (CL): 6.297 Half-life (T1/2): 0.684

ADMET: Toxicity

hERG Blockers: 0.073 Human Hepatotoxicity (H-HT): 0.502
Drug-inuced Liver Injury (DILI): 0.715 AMES Toxicity: 0.6
Rat Oral Acute Toxicity: 0.048 Maximum Recommended Daily Dose: 0.028
Skin Sensitization: 0.337 Carcinogencity: 0.783
Eye Corrosion: 0.004 Eye Irritation: 0.81
Respiratory Toxicity: 0.023
*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
ENC000072 0.571 D0KD1U 0.571
ENC000785 0.531 D0U5QK 0.571
ENC000391 0.500 D02AQY 0.510
ENC005495 0.442 D08GJO 0.408
ENC000201 0.435 D02HXS 0.397
ENC000370 0.435 D0J5DC 0.386
ENC001358 0.426 D01UXC 0.354
ENC001510 0.408 D0Q8ZX 0.353
ENC001578 0.393 D0VB0U 0.333
ENC005262 0.390 D08HQK 0.328
*Note: the compound similarity was calculated by RDKIT.