2-(3-methoxyphenyl)acetamide

• ChemBase ID: 79330
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: O=C(Cc1cc(ccc1)OC)N
• Canonical SMILES: COc1cccc(c1)CC(=O)N
• InChI: InChI=1S/C9H11NO2/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H2,10,11)
• InChIKey: HPKKEDGOBIXMHS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-(3-methoxyphenyl)acetamide
• Synonyms: 2-(3-methoxyphenyl)acetamide

Database IDs

• CAS Number: 18463-71-3
• MDL Number: MFCD00085105
• PubChem SID: 162044093
• PubChem CID: 2774973

CALCULATED PROPERTIES

• Acid pKa: 16.038969
• 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: 17.734482 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true