N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-5-carboxamide

• ChemBase ID: 780076
• Molecular Formular: C19H20N2O3
• Molecular Mass: 324.3737
• Monoisotopic Mass: 324.14739251
• SMILES: C(=O)(N(Cc1cnccc1)CCOC)c1cc2cc(oc2cc1)C
• Canonical SMILES: COCCN(C(=O)c1ccc2c(c1)cc(o2)C)Cc1cccnc1
• InChI: InChI=1S/C19H20N2O3/c1-14-10-17-11-16(5-6-18(17)24-14)19(22)21(8-9-23-2)13-15-4-3-7-20-12-15/h3-7,10-12H,8-9,13H2,1-2H3
• InChIKey: OBQVOYWSKBBJMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-5-carboxamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-5-carboxamide
• Synonyms: N-(2-methoxyethyl)-2-methyl-N-(pyridin-3-ylmethyl)-1-benzofuran-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.0174859
• LogD (pH = 7.4): 2.0887387
• Log P: 2.0897481
• Molar Refractivity: 92.4198 cm^3
• Polarizability: 36.050625 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.66
• LOG S: -1.68
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 6