2-hydroxy-2-(4-methoxyphenyl)-N-[3-(pyridin-3-yl)propyl]acetamide

• ChemBase ID: 849944
• Molecular Formular: C17H20N2O3
• Molecular Mass: 300.3523
• Monoisotopic Mass: 300.14739251
• SMILES: C(=O)(C(c1ccc(cc1)OC)O)NCCCc1cnccc1
• Canonical SMILES: COc1ccc(cc1)C(C(=O)NCCCc1cccnc1)O
• InChI: InChI=1S/C17H20N2O3/c1-22-15-8-6-14(7-9-15)16(20)17(21)19-11-3-5-13-4-2-10-18-12-13/h2,4,6-10,12,16,20H,3,5,11H2,1H3,(H,19,21)
• InChIKey: YWCGFXZBGDNRBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydroxy-2-(4-methoxyphenyl)-N-[3-(pyridin-3-yl)propyl]acetamide
• IUPAC Traditional name: 2-hydroxy-2-(4-methoxyphenyl)-N-[3-(pyridin-3-yl)propyl]acetamide
• Synonyms: 2-hydroxy-2-(4-methoxyphenyl)-N-(3-pyridin-3-ylpropyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.465785
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.3024727
• LogD (pH = 7.4): 1.3935935
• Log P: 1.3949283
• Molar Refractivity: 83.6976 cm^3
• Polarizability: 32.56898 Å^3
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.43
• LOG S: -1.31
• Polar Surface Area: 71.45 Å^2
• Rotatable Bonds: 7