N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-2-(pyridin-3-yloxy)acetamide

• ChemBase ID: 464263
• Molecular Formular: C18H22N2O4
• Molecular Mass: 330.37828
• Monoisotopic Mass: 330.15795719
• SMILES: C(=O)(N(CCOc1c(OCC)cccc1)C)COc1cnccc1
• Canonical SMILES: CCOc1ccccc1OCCN(C(=O)COc1cccnc1)C
• InChI: InChI=1S/C18H22N2O4/c1-3-22-16-8-4-5-9-17(16)23-12-11-20(2)18(21)14-24-15-7-6-10-19-13-15/h4-10,13H,3,11-12,14H2,1-2H3
• InChIKey: UTWPGWYGUIPXLO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-2-(pyridin-3-yloxy)acetamide
• IUPAC Traditional name: N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-2-(pyridin-3-yloxy)acetamide
• Synonyms: N-[2-(2-ethoxyphenoxy)ethyl]-N-methyl-2-(pyridin-3-yloxy)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.593924
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4938213
• LogD (pH = 7.4): 1.5585729
• Log P: 1.5594813
• Molar Refractivity: 89.8285 cm^3
• Polarizability: 35.16398 Å^3
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.88
• LOG S: -4.07
• Polar Surface Area: 60.89 Å^2
• Rotatable Bonds: 9