2-(4-acetylphenoxy)-N-(2-methylphenyl)acetamide

• ChemBase ID: 232451
• Molecular Formular: C17H17NO3
• Molecular Mass: 283.32178
• Monoisotopic Mass: 283.12084341
• SMILES: N(C(=O)COc1ccc(C(=O)C)cc1)c1c(C)cccc1
• Canonical SMILES: O=C(Nc1ccccc1C)COc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C17H17NO3/c1-12-5-3-4-6-16(12)18-17(20)11-21-15-9-7-14(8-10-15)13(2)19/h3-10H,11H2,1-2H3,(H,18,20)
• InChIKey: VJPRCFLNXLDXPZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-acetylphenoxy)-N-(2-methylphenyl)acetamide
• IUPAC Traditional name: 2-(4-acetylphenoxy)-N-(2-methylphenyl)acetamide
• Synonyms: 2-(4-Acetyl-phenoxy)-N-o-tolyl-acetamide

Database IDs

• CAS Number: 17172-81-5
• MDL Number: MFCD02172679
• PubChem SID: 164288361
• PubChem CID: 2461716

CALCULATED PROPERTIES

• Acid pKa: 12.620268
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7989287
• LogD (pH = 7.4): 2.798926
• Log P: 2.7989287
• Molar Refractivity: 82.3271 cm^3
• Polarizability: 30.975399 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.266

Product Information

• Purity: 95%