N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide

• ChemBase ID: 112567
• Molecular Formular: C16H15NO3
• Molecular Mass: 269.2952
• Monoisotopic Mass: 269.10519335
• SMILES: COc1ccccc1NC(=O)CC(=O)c1ccccc1
• Canonical SMILES: COc1ccccc1NC(=O)CC(=O)c1ccccc1
• InChI: InChI=1S/C16H15NO3/c1-20-15-10-6-5-9-13(15)17-16(19)11-14(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
• InChIKey: FTYSHTGKLFLKRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
• IUPAC Traditional name: N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
• Synonyms: α-BENZOYL-o-METHOXY ACETANILIDE

Database IDs

• CAS Number: 92-16-0
• PubChem SID: 162098199
• PubChem CID: 7079

CALCULATED PROPERTIES

• Acid pKa: 11.300805
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.6958132
• LogD (pH = 7.4): 2.4633636
• Log P: 2.6997523
• Molar Refractivity: 77.5454 cm^3
• Polarizability: 29.212507 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05224668

MP Biomedicals Rare Chemical collection