N-(5-amino-2-methoxyphenyl)acetamide

• ChemBase ID: 22836
• Molecular Formular: C9H12N2O2
• Molecular Mass: 180.20378
• Monoisotopic Mass: 180.08987763
• SMILES: c1(NC(=O)C)cc(N)ccc1OC
• Canonical SMILES: COc1ccc(cc1NC(=O)C)N
• InChI: InChI=1S/C9H12N2O2/c1-6(12)11-8-5-7(10)3-4-9(8)13-2/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: NHHJPLIBPNEMHJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)acetamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)acetamide
• Synonyms: N-(5-Amino-2-methoxyphenyl)acetamide

Database IDs

• CAS Number: 64353-88-4
• MDL Number: MFCD00466048
• PubChem SID: 160986143
• PubChem CID: 267867

CALCULATED PROPERTIES

• Acid pKa: 12.529101
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.1625175
• LogD (pH = 7.4): 0.22351928
• Log P: 0.22435896
• Molar Refractivity: 52.0846 cm^3
• Polarizability: 18.875462 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false