N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide

• ChemBase ID: 584979
• Molecular Formular: C20H22N2O3
• Molecular Mass: 338.40028
• Monoisotopic Mass: 338.16304257
• SMILES: C(=O)(N(Cc1c(c(c(cn1)C)OC)C)C)c1cc2cc(oc2cc1)C
• Canonical SMILES: COc1c(C)cnc(c1C)CN(C(=O)c1ccc2c(c1)cc(o2)C)C
• InChI: InChI=1S/C20H22N2O3/c1-12-10-21-17(14(3)19(12)24-5)11-22(4)20(23)15-6-7-18-16(9-15)8-13(2)25-18/h6-10H,11H2,1-5H3
• InChIKey: YCUYNCCWCBAXKT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
• IUPAC Traditional name: N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
• Synonyms: N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1367898
• LogD (pH = 7.4): 3.0304897
• Log P: 3.087367
• Molar Refractivity: 97.3997 cm^3
• Polarizability: 37.723656 Å^3
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.83
• LOG S: -4.08
• Polar Surface Area: 55.57 Å^2
• Rotatable Bonds: 4