(2S)-2-hydroxy-3-phenyl-N-[3-(pyridin-2-yl)propyl]propanamide

• ChemBase ID: 682076
• Molecular Formular: C17H20N2O2
• Molecular Mass: 284.3529
• Monoisotopic Mass: 284.15247789
• SMILES: C(=O)([C@H](Cc1ccccc1)O)NCCCc1ncccc1
• Canonical SMILES: O=C([C@H](Cc1ccccc1)O)NCCCc1ccccn1
• InChI: InChI=1S/C17H20N2O2/c20-16(13-14-7-2-1-3-8-14)17(21)19-12-6-10-15-9-4-5-11-18-15/h1-5,7-9,11,16,20H,6,10,12-13H2,(H,19,21)/t16-/m0/s1
• InChIKey: CUVSEXWOZAEHLQ-INIZCTEOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-hydroxy-3-phenyl-N-[3-(pyridin-2-yl)propyl]propanamide
• IUPAC Traditional name: (2S)-2-hydroxy-3-phenyl-N-[3-(pyridin-2-yl)propyl]propanamide
• Synonyms: (2S)-2-hydroxy-3-phenyl-N-(3-pyridin-2-ylpropyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.086521
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6677982
• LogD (pH = 7.4): 1.7145436
• Log P: 1.7151768
• Molar Refractivity: 81.5656 cm^3
• Polarizability: 31.899275 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.85
• LOG S: -1.55
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 7