6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide

• ChemBase ID: 497326
• Molecular Formular: C16H19NO4
• Molecular Mass: 289.32636
• Monoisotopic Mass: 289.13140809
• SMILES: c1(oc2c(c1C)ccc(c2)OC)C(=O)NC1COCCC1
• Canonical SMILES: COc1ccc2c(c1)oc(c2C)C(=O)NC1CCCOC1
• InChI: InChI=1S/C16H19NO4/c1-10-13-6-5-12(19-2)8-14(13)21-15(10)16(18)17-11-4-3-7-20-9-11/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,18)
• InChIKey: JFMXPCFSZMKWQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide
• IUPAC Traditional name: 6-methoxy-3-methyl-N-(oxan-3-yl)-1-benzofuran-2-carboxamide
• Synonyms: 6-methoxy-3-methyl-N-(tetrahydro-2H-pyran-3-yl)-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.185672
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.9010259
• LogD (pH = 7.4): 1.9010259
• Log P: 1.9010259
• Molar Refractivity: 78.5108 cm^3
• Polarizability: 31.000124 Å^3
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.23
• LOG S: -3.21
• Polar Surface Area: 60.7 Å^2
• Rotatable Bonds: 3