N-[3-(1-hydroxyethyl)phenyl]-2-(4-methylphenyl)acetamide

• ChemBase ID: 272559
• Molecular Formular: C17H19NO2
• Molecular Mass: 269.33826
• Monoisotopic Mass: 269.14157885
• SMILES: C(=O)(Nc1cc(C(O)C)ccc1)Cc1ccc(cc1)C
• Canonical SMILES: O=C(Nc1cccc(c1)C(O)C)Cc1ccc(cc1)C
• InChI: InChI=1S/C17H19NO2/c1-12-6-8-14(9-7-12)10-17(20)18-16-5-3-4-15(11-16)13(2)19/h3-9,11,13,19H,10H2,1-2H3,(H,18,20)
• InChIKey: UEMOPSVPRBBXSW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1-hydroxyethyl)phenyl]-2-(4-methylphenyl)acetamide
• IUPAC Traditional name: N-[3-(1-hydroxyethyl)phenyl]-2-(4-methylphenyl)acetamide
• Synonyms: N-[3-(1-hydroxyethyl)phenyl]-2-(4-methylphenyl)acetamide

Database IDs

• MDL Number: MFCD13717059
• PubChem SID: 164328469
• PubChem CID: 43508403

CALCULATED PROPERTIES

• Acid pKa: 13.810293
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.2079427
• LogD (pH = 7.4): 3.2079425
• Log P: 3.2079427
• Molar Refractivity: 81.9188 cm^3
• Polarizability: 30.868721 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): 2.469

Product Information

• Purity: 95%