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

• ChemBase ID: 27536
• Molecular Formular: C17H17NO3
• Molecular Mass: 283.32178
• Monoisotopic Mass: 283.12084341
• SMILES: C(=O)(Nc1cc(C(=O)C)ccc1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CC(=O)Nc1cccc(c1)C(=O)C
• InChI: InChI=1S/C17H17NO3/c1-12(19)14-4-3-5-15(11-14)18-17(20)10-13-6-8-16(21-2)9-7-13/h3-9,11H,10H2,1-2H3,(H,18,20)
• InChIKey: SIAKIIKYOSERFU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-acetylphenyl)-2-(4-methoxyphenyl)acetamide
• IUPAC Traditional name: N-(3-acetylphenyl)-2-(4-methoxyphenyl)acetamide
• Synonyms: N-(3-Acetylphenyl)-2-(4-methoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD01357329
• PubChem SID: 160990843
• PubChem CID: 968626

CALCULATED PROPERTIES

• Acid pKa: 13.665429
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4452722
• LogD (pH = 7.4): 2.445272
• Log P: 2.4452722
• Molar Refractivity: 82.5089 cm^3
• Polarizability: 31.04949 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false