N-[2-(4-acetylphenyl)ethyl]acetamide

• ChemBase ID: 246197
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: C(=O)(NCCc1ccc(C(=O)C)cc1)C
• Canonical SMILES: CC(=O)NCCc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C12H15NO2/c1-9(14)12-5-3-11(4-6-12)7-8-13-10(2)15/h3-6H,7-8H2,1-2H3,(H,13,15)
• InChIKey: MWPMMSVYHPAOIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-acetylphenyl)ethyl]acetamide
• IUPAC Traditional name: N-[2-(4-acetylphenyl)ethyl]acetamide
• Synonyms: N-[2-(4-acetylphenyl)ethyl]acetamide

Database IDs

• MDL Number: MFCD02684182
• PubChem SID: 164302107
• PubChem CID: 237789

CALCULATED PROPERTIES

• Acid pKa: 15.525915
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7641694
• LogD (pH = 7.4): 0.7641696
• Log P: 0.7641696
• Molar Refractivity: 59.133 cm^3
• Polarizability: 22.63277 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94 - 96°C
• Hydrophobicity(logP): 0.458

Product Information

• Purity: 95%