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

• ChemBase ID: 27535
• Molecular Formular: C17H17NO3
• Molecular Mass: 283.32178
• Monoisotopic Mass: 283.12084341
• SMILES: C(=O)(Nc1ccc(C(=O)C)cc1)Cc1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)CC(=O)Nc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C17H17NO3/c1-12(19)14-5-7-15(8-6-14)18-17(20)11-13-3-9-16(21-2)10-4-13/h3-10H,11H2,1-2H3,(H,18,20)
• InChIKey: QEKLZEKJMJQYRF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD00859446
• PubChem SID: 160990842
• PubChem CID: 730491

CALCULATED PROPERTIES

• Acid pKa: 13.44602
• 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: 31.049297 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