N-(3-aminophenyl)-2-(4-methoxyphenyl)acetamide

• ChemBase ID: 22624
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: C(=O)(Nc1cc(N)ccc1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CC(=O)Nc1cccc(c1)N
• InChI: InChI=1S/C15H16N2O2/c1-19-14-7-5-11(6-8-14)9-15(18)17-13-4-2-3-12(16)10-13/h2-8,10H,9,16H2,1H3,(H,17,18)
• InChIKey: HJHFEZHPDOIIOL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-aminophenyl)-2-(4-methoxyphenyl)acetamide
• IUPAC Traditional name: N-(3-aminophenyl)-2-(4-methoxyphenyl)acetamide
• Synonyms: N-(3-Aminophenyl)-2-(4-methoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD09809647
• PubChem SID: 160985931
• PubChem CID: 18070485

CALCULATED PROPERTIES

• Acid pKa: 13.906991
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0474951
• LogD (pH = 7.4): 2.0585558
• Log P: 2.058699
• Molar Refractivity: 76.8065 cm^3
• Polarizability: 28.4572 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false