2-phenyl-N-(2-phenylethyl)acetamide

• ChemBase ID: 239937
• Molecular Formular: C16H17NO
• Molecular Mass: 239.31228
• Monoisotopic Mass: 239.13101417
• SMILES: C(=O)(NCCc1ccccc1)Cc1ccccc1
• Canonical SMILES: O=C(Cc1ccccc1)NCCc1ccccc1
• InChI: InChI=1S/C16H17NO/c18-16(13-15-9-5-2-6-10-15)17-12-11-14-7-3-1-4-8-14/h1-10H,11-13H2,(H,17,18)
• InChIKey: SERBNUYNEAQHNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-N-(2-phenylethyl)acetamide
• IUPAC Traditional name: 2-phenyl-N-(2-phenylethyl)acetamide
• Synonyms: 2-phenyl-N-(2-phenylethyl)acetamide

Database IDs

• MDL Number: MFCD00043534
• PubChem SID: 164295847
• PubChem CID: 138516

CALCULATED PROPERTIES

• Acid pKa: 16.006369
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0408618
• LogD (pH = 7.4): 3.0408618
• Log P: 3.0408618
• Molar Refractivity: 73.4521 cm^3
• Polarizability: 28.531792 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.787

Product Information

• Purity: 95%