N-cyclopentyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide

• ChemBase ID: 735467
• Molecular Formular: C20H23NO3
• Molecular Mass: 325.40152
• Monoisotopic Mass: 325.1677936
• SMILES: C(c1c(O)cccc1)(c1cc(O)ccc1)CC(=O)NC1CCCC1
• Canonical SMILES: O=C(CC(c1ccccc1O)c1cccc(c1)O)NC1CCCC1
• InChI: InChI=1S/C20H23NO3/c22-16-9-5-6-14(12-16)18(17-10-3-4-11-19(17)23)13-20(24)21-15-7-1-2-8-15/h3-6,9-12,15,18,22-23H,1-2,7-8,13H2,(H,21,24)
• InChIKey: LUUQXBJNMQQFLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopentyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide
• IUPAC Traditional name: N-cyclopentyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide
• Synonyms: N-cyclopentyl-3-(2-hydroxyphenyl)-3-(3-hydroxyphenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.058349
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 3.640571
• LogD (pH = 7.4): 3.631263
• Log P: 3.6406906
• Molar Refractivity: 93.7041 cm^3
• Polarizability: 36.337868 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.4
• LOG S: -4.48
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 5