N-hydroxy-2-methyl-2-phenylpropanamide

• ChemBase ID: 262469
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: C(C(=O)NO)(c1ccccc1)(C)C
• Canonical SMILES: ONC(=O)C(c1ccccc1)(C)C
• InChI: InChI=1S/C10H13NO2/c1-10(2,9(12)11-13)8-6-4-3-5-7-8/h3-7,13H,1-2H3,(H,11,12)
• InChIKey: ZXXJKUBDSHZOAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-2-methyl-2-phenylpropanamide
• IUPAC Traditional name: N-hydroxy-2-methyl-2-phenylpropanamide
• Synonyms: N-hydroxy-2-methyl-2-phenylpropanamide

Database IDs

• MDL Number: MFCD09929777
• PubChem SID: 164318379
• PubChem CID: 13883838

CALCULATED PROPERTIES

• Acid pKa: 8.798413
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.899653
• LogD (pH = 7.4): 1.882937
• Log P: 1.8998704
• Molar Refractivity: 50.0279 cm^3
• Polarizability: 19.518011 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): 1.052

Product Information

• Purity: 95%