2-hydroxy-N-methyl-N-phenylacetamide

• ChemBase ID: 813316
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: C(C(=O)N(c1ccccc1)C)O
• Canonical SMILES: OCC(=O)N(c1ccccc1)C
• InChI: InChI=1S/C9H11NO2/c1-10(9(12)7-11)8-5-3-2-4-6-8/h2-6,11H,7H2,1H3
• InChIKey: PNEABRNAYDDYJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-N-methyl-N-phenylacetamide
• IUPAC Traditional name: 2-hydroxy-N-methyl-N-phenylacetamide
• Synonyms: 2-HYDROXY-N-METHYL-N-PHENYL-ACETAMIDE

Database IDs

• CAS Number: 42404-09-1

CALCULATED PROPERTIES

• Acid pKa: 13.531314
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.2577742
• LogD (pH = 7.4): 0.25777388
• Log P: 0.2577742
• Molar Refractivity: 45.7391 cm^3
• Polarizability: 17.668957 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%