N-(3-methoxyphenyl)-2-(phenylamino)acetamide

• ChemBase ID: 259966
• Molecular Formular: C15H16N2O2
• Molecular Mass: 256.29974
• Monoisotopic Mass: 256.12117776
• SMILES: C(=O)(Nc1cc(OC)ccc1)CNc1ccccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)CNc1ccccc1
• InChI: InChI=1S/C15H16N2O2/c1-19-14-9-5-8-13(10-14)17-15(18)11-16-12-6-3-2-4-7-12/h2-10,16H,11H2,1H3,(H,17,18)
• InChIKey: QXLQOZBXRPZFHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxyphenyl)-2-(phenylamino)acetamide
• IUPAC Traditional name: N-(3-methoxyphenyl)-2-(phenylamino)acetamide
• Synonyms: N-(3-methoxyphenyl)-2-(phenylamino)acetamide

Database IDs

• MDL Number: MFCD11923518
• PubChem SID: 164315876
• PubChem CID: 28565209

CALCULATED PROPERTIES

• Acid pKa: 13.118829
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.2002444
• LogD (pH = 7.4): 2.200632
• Log P: 2.2006378
• Molar Refractivity: 77.0769 cm^3
• Polarizability: 28.460041 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205 - 207°C
• Hydrophobicity(logP): 2.467

Product Information

• Purity: 95%