N-{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}acetamide

• ChemBase ID: 671590
• Molecular Formular: C15H16N2O3
• Molecular Mass: 272.29914
• Monoisotopic Mass: 272.11609238
• SMILES: c1(c(CNC(=O)C)cccn1)Oc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1Oc1ncccc1CNC(=O)C
• InChI: InChI=1S/C15H16N2O3/c1-11(18)17-10-12-6-5-9-16-15(12)20-14-8-4-3-7-13(14)19-2/h3-9H,10H2,1-2H3,(H,17,18)
• InChIKey: CMPZWCWMKJFWLB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}acetamide
• IUPAC Traditional name: N-{[2-(2-methoxyphenoxy)pyridin-3-yl]methyl}acetamide
• Synonyms: N-{[2-(2-methoxyphenoxy)-3-pyridinyl]methyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.82727
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.6372051
• LogD (pH = 7.4): 1.6372612
• Log P: 1.6372619
• Molar Refractivity: 74.8358 cm^3
• Polarizability: 29.011229 Å^3
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.12
• LOG S: -2.43
• Polar Surface Area: 60.45 Å^2
• Rotatable Bonds: 4