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

• ChemBase ID: 308321
• Molecular Formular: C9H12N2O
• Molecular Mass: 164.20438
• Monoisotopic Mass: 164.09496301
• SMILES: C(=O)(Nc1cc(c(cc1)N)C)C
• Canonical SMILES: CC(=O)Nc1ccc(c(c1)C)N
• InChI: InChI=1S/C9H12N2O/c1-6-5-8(11-7(2)12)3-4-9(6)10/h3-5H,10H2,1-2H3,(H,11,12)
• InChIKey: QXWUFIZOBXUMSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 6375-20-8
• MDL Number: MFCD00629019

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.88450795
• LogD (pH = 7.4): 0.8953121
• Log P: 0.8954516
• Molar Refractivity: 50.6626 cm^3
• Polarizability: 18.109114 Å^3
• Polar Surface Area: 55.12 Å^2