N-(4-amino-3-methoxyphenyl)acetamide

• ChemBase ID: 241168
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: c1c(c(ccc1NC(=O)C)N)OC
• Canonical SMILES: COc1cc(ccc1N)NC(=O)C
• InChI: InChI=1S/C9H12N2O2/c1-6(12)11-7-3-4-8(10)9(5-7)13-2/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: UFZGWYKCLSCGHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-amino-3-methoxyphenyl)acetamide
• IUPAC Traditional name: N-(4-amino-3-methoxyphenyl)acetamide
• Synonyms: N-(4-amino-3-methoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD03089241
• PubChem SID: 164297078
• PubChem CID: 4113360

CALCULATED PROPERTIES

• Acid pKa: 15.388543
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.2107471
• LogD (pH = 7.4): 0.22418489
• Log P: 0.22435896
• Molar Refractivity: 52.0846 cm^3
• Polarizability: 18.87533 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 128 - 130°C
• Hydrophobicity(logP): 0.25

Product Information

• Purity: 95%