2-(4-acetylphenoxy)-N-phenylacetamide

• ChemBase ID: 233666
• Molecular Formular: C16H15NO3
• Molecular Mass: 269.2952
• Monoisotopic Mass: 269.10519335
• SMILES: C(=O)(Nc1ccccc1)COc1ccc(C(=O)C)cc1
• Canonical SMILES: O=C(Nc1ccccc1)COc1ccc(cc1)C(=O)C
• InChI: InChI=1S/C16H15NO3/c1-12(18)13-7-9-15(10-8-13)20-11-16(19)17-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,19)
• InChIKey: DXESJQGQMNZOFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-acetylphenoxy)-N-phenylacetamide
• IUPAC Traditional name: 2-(4-acetylphenoxy)-N-phenylacetamide
• Synonyms: 2-(4-acetylphenoxy)-N-phenylacetamide

Database IDs

• CAS Number: 17172-76-8
• MDL Number: MFCD01733463
• PubChem SID: 164289576
• PubChem CID: 204987

CALCULATED PROPERTIES

• Acid pKa: 12.578894
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2855072
• LogD (pH = 7.4): 2.2855043
• Log P: 2.2855072
• Molar Refractivity: 77.2859 cm^3
• Polarizability: 29.21062 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 94 - 96°C
• Hydrophobicity(logP): 2.417

Product Information

• Purity: 95%