4-[(6-methoxy-3-methyl-1-benzofuran-2-yl)formamido]-N,4-dimethylpentanamide

• ChemBase ID: 776294
• Molecular Formular: C18H24N2O4
• Molecular Mass: 332.39416
• Monoisotopic Mass: 332.17360726
• SMILES: c1(oc2c(c1C)ccc(c2)OC)C(=O)NC(CCC(=O)NC)(C)C
• Canonical SMILES: CNC(=O)CCC(NC(=O)c1oc2c(c1C)ccc(c2)OC)(C)C
• InChI: InChI=1S/C18H24N2O4/c1-11-13-7-6-12(23-5)10-14(13)24-16(11)17(22)20-18(2,3)9-8-15(21)19-4/h6-7,10H,8-9H2,1-5H3,(H,19,21)(H,20,22)
• InChIKey: GMEBPZMXADZAAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(6-methoxy-3-methyl-1-benzofuran-2-yl)formamido]-N,4-dimethylpentanamide
• IUPAC Traditional name: 4-[(6-methoxy-3-methyl-1-benzofuran-2-yl)formamido]-N,4-dimethylpentanamide
• Synonyms: N-[1,1-dimethyl-4-(methylamino)-4-oxobutyl]-6-methoxy-3-methyl-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.118931
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.5999792
• LogD (pH = 7.4): 1.5999792
• Log P: 1.5999792
• Molar Refractivity: 91.571 cm^3
• Polarizability: 35.92834 Å^3
• Polar Surface Area: 80.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.97
• LOG S: -3.31
• Polar Surface Area: 80.57 Å^2
• Rotatable Bonds: 6