3-(4-hydroxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)propanamide

• ChemBase ID: 740147
• Molecular Formular: C21H20N2O2
• Molecular Mass: 332.3957
• Monoisotopic Mass: 332.15247789
• SMILES: C(=O)(C(Cc1ccc(cc1)O)c1ccccc1)NCc1ncccc1
• Canonical SMILES: O=C(C(c1ccccc1)Cc1ccc(cc1)O)NCc1ccccn1
• InChI: InChI=1S/C21H20N2O2/c24-19-11-9-16(10-12-19)14-20(17-6-2-1-3-7-17)21(25)23-15-18-8-4-5-13-22-18/h1-13,20,24H,14-15H2,(H,23,25)
• InChIKey: MYPRADAHTUOGIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-hydroxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)propanamide
• IUPAC Traditional name: 3-(4-hydroxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)propanamide
• Synonyms: 3-(4-hydroxyphenyl)-2-phenyl-N-(pyridin-2-ylmethyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.504748
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.4157689
• LogD (pH = 7.4): 3.4301832
• Log P: 3.4337938
• Molar Refractivity: 97.2694 cm^3
• Polarizability: 37.80325 Å^3
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.17
• LOG S: -1.6
• Polar Surface Area: 62.22 Å^2
• Rotatable Bonds: 6