N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

• ChemBase ID: 399018
• Molecular Formular: C18H20N2O3
• Molecular Mass: 312.363
• Monoisotopic Mass: 312.14739251
• SMILES: c1(c(=O)[nH]c(cc1C)C)C(=O)N(CC1Oc2c(C1)cccc2)C
• Canonical SMILES: Cc1cc(C)c(c(=O)[nH]1)C(=O)N(CC1Cc2c(O1)cccc2)C
• InChI: InChI=1S/C18H20N2O3/c1-11-8-12(2)19-17(21)16(11)18(22)20(3)10-14-9-13-6-4-5-7-15(13)23-14/h4-8,14H,9-10H2,1-3H3,(H,19,21)
• InChIKey: VTIPEZFRSBXZMP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
• Synonyms: N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N,4,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.034015
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4336522
• LogD (pH = 7.4): 1.4335643
• Log P: 1.4336537
• Molar Refractivity: 89.3683 cm^3
• Polarizability: 33.58039 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.66
• LOG S: -2.9
• Polar Surface Area: 62.4 Å^2
• Rotatable Bonds: 3