2-methyl-2-phenylpropanamide

• ChemBase ID: 267387
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: C(C(=O)N)(c1ccccc1)(C)C
• Canonical SMILES: NC(=O)C(c1ccccc1)(C)C
• InChI: InChI=1S/C10H13NO/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-7H,1-2H3,(H2,11,12)
• InChIKey: VKLQYTLWERZJEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD01722760
• PubChem SID: 164323297
• PubChem CID: 94713

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 16.52608
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.9030521
• LogD (pH = 7.4): 1.9030521
• Log P: 1.9030521
• Molar Refractivity: 48.2633 cm^3
• Polarizability: 18.903946 Å^3
• Polar Surface Area: 43.09 Å^2

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.162

Product Information

• Purity: 95%