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

• ChemBase ID: 22820
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: C(=O)(Nc1ccc(N)cc1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CC(=O)Nc1ccc(cc1)N
• InChI: InChI=1S/C15H16N2O2/c1-19-14-8-2-11(3-9-14)10-15(18)17-13-6-4-12(16)5-7-13/h2-9H,10,16H2,1H3,(H,17,18)
• InChIKey: YSQQSEIITXAOFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD09805417
• PubChem SID: 160986127
• PubChem CID: 20113287

CALCULATED PROPERTIES

• Acid pKa: 15.600715
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.0467808
• LogD (pH = 7.4): 2.0585468
• Log P: 2.058699
• Molar Refractivity: 76.8065 cm^3
• Polarizability: 28.456112 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