N-(2-acetamidophenyl)-2-{[(1S)-1-phenylpropyl]amino}acetamide

• ChemBase ID: 774478
• Molecular Formular: C19H23N3O2
• Molecular Mass: 325.40482
• Monoisotopic Mass: 325.17902699
• SMILES: N(c1c(NC(=O)C)cccc1)C(=O)CN[C@H](c1ccccc1)CC
• Canonical SMILES: CC[C@@H](c1ccccc1)NCC(=O)Nc1ccccc1NC(=O)C
• InChI: InChI=1S/C19H23N3O2/c1-3-16(15-9-5-4-6-10-15)20-13-19(24)22-18-12-8-7-11-17(18)21-14(2)23/h4-12,16,20H,3,13H2,1-2H3,(H,21,23)(H,22,24)/t16-/m0/s1
• InChIKey: KPLPZOPOMOSHMU-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-acetamidophenyl)-2-{[(1S)-1-phenylpropyl]amino}acetamide
• IUPAC Traditional name: N-(2-acetamidophenyl)-2-{[(1S)-1-phenylpropyl]amino}acetamide
• Synonyms: N-[2-(acetylamino)phenyl]-2-{[(1S)-1-phenylpropyl]amino}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.328084
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -0.14025185
• LogD (pH = 7.4): 1.5506122
• Log P: 2.6206877
• Molar Refractivity: 97.4737 cm^3
• Polarizability: 36.733246 Å^3
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.12
• LOG S: -3.38
• Polar Surface Area: 70.23 Å^2
• Rotatable Bonds: 7