2-(4-methoxyphenyl)acetamide

• ChemBase ID: 6370
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: O=C(N)Cc1ccc(OC)cc1
• Canonical SMILES: COc1ccc(cc1)CC(=O)N
• InChI: InChI=1S/C9H11NO2/c1-12-8-4-2-7(3-5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
• InChIKey: OLKQIWCQICCYQS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-(4-methoxyphenyl)acetamide
• Synonyms: 2-(4-METHOXYPHENYL)ACETAMIDE; 4-Methoxyphenylacetamide; 4-甲氧基苯乙酰胺

Database IDs

• CAS Number: 6343-93-7
• EC Number: 228-745-9
• MDL Number: MFCD00017144
• Beilstein Number: 2088040
• PubChem SID: 162103396
• PubChem CID: 241868

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.038563
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.64638025
• LogD (pH = 7.4): 0.64638025
• Log P: 0.64638025
• Molar Refractivity: 45.651 cm^3
• Polarizability: 17.734455 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

ALOGPS 2.1

• Log P: 0.84
• LOG S: -1.96
• Solubility (Water): 1.82e+00 g/l

PROPERTIES

Physical Property

• Melting Point: 184-188°C

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 98%

DETAILS

DrugBank - DB08767

Drug information: experimental