N-[(1R)-1-(4-acetylphenyl)ethyl]acetamide

• ChemBase ID: 159404
• Molecular Formular: C12H15NO2
• Molecular Mass: 205.253
• Monoisotopic Mass: 205.11027873
• SMILES: c1c(ccc(c1)[C@@H](C)NC(=O)C)C(=O)C
• Canonical SMILES: CC(=O)N[C@@H](c1ccc(cc1)C(=O)C)C
• InChI: InChI=1S/C12H15NO2/c1-8(13-10(3)15)11-4-6-12(7-5-11)9(2)14/h4-8H,1-3H3,(H,13,15)/t8-/m1/s1
• InChIKey: RZAWAOKACCQVTF-MRVPVSSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1R)-1-(4-acetylphenyl)ethyl]acetamide
• IUPAC Traditional name: N-[(1R)-1-(4-acetylphenyl)ethyl]acetamide
• Synonyms: (+)-N-[1-(4-Acetylphenyl)ethyl]acetamide; N-[(1R)-1-(4-Acetylphenyl)ethyl]acetamide

Database IDs

• CAS Number: 88146-37-6
• PubChem SID: 162253539
• PubChem CID: 29937165

CALCULATED PROPERTIES

• Acid pKa: 15.295802
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.8920833
• LogD (pH = 7.4): 0.8920834
• Log P: 0.8920834
• Molar Refractivity: 58.7968 cm^3
• Polarizability: 22.63031 Å^3
• Polar Surface Area: 46.17 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Methanol
• Apperance: Light Brown Solid