N-[(1R)-1-phenylethyl]acetamide

• ChemBase ID: 176552
• Molecular Formular: C10H13NO
• Molecular Mass: 163.21632
• Monoisotopic Mass: 163.09971404
• SMILES: c1cccc(c1)[C@@H](C)NC(=O)C
• Canonical SMILES: C[C@H](c1ccccc1)NC(=O)C
• InChI: InChI=1S/C10H13NO/c1-8(11-9(2)12)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,11,12)/t8-/m1/s1
• InChIKey: PAVMRYVMZLANOQ-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R)-1-phenylethyl]acetamide
• IUPAC Traditional name: N-[(1R)-1-phenylethyl]acetamide
• Synonyms: (+)-N-(1-Phenylethyl)acetamide; (R)-1-Acetamido-1-phenylethane; (R)-N-Acetyl-1-phenylethylamine; (αR)-N-(α-Methylphenyl)acetamide; N-[(R)-1-Phenylethyl]acetamide

Database IDs

• CAS Number: 36283-44-0
• PubChem SID: 164232462
• PubChem CID: 735802

CALCULATED PROPERTIES

• Acid pKa: 15.910881
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.3344357
• LogD (pH = 7.4): 1.3344358
• Log P: 1.3344358
• Molar Refractivity: 48.394 cm^3
• Polarizability: 18.90344 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ethyl Acetate
• Apperance: White Solid