N-(2-methyl-1-benzofuran-5-yl)-2-propyl-2,5-dihydro-1H-pyrrole-1-carboxamide

• ChemBase ID: 665408
• Molecular Formular: C17H20N2O2
• Molecular Mass: 284.3529
• Monoisotopic Mass: 284.15247789
• SMILES: C(=O)(N1C(C=CC1)CCC)Nc1cc2cc(oc2cc1)C
• Canonical SMILES: CCCC1C=CCN1C(=O)Nc1ccc2c(c1)cc(o2)C
• InChI: InChI=1S/C17H20N2O2/c1-3-5-15-6-4-9-19(15)17(20)18-14-7-8-16-13(11-14)10-12(2)21-16/h4,6-8,10-11,15H,3,5,9H2,1-2H3,(H,18,20)
• InChIKey: IPMSUBKMVVLFFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methyl-1-benzofuran-5-yl)-2-propyl-2,5-dihydro-1H-pyrrole-1-carboxamide
• IUPAC Traditional name: N-(2-methyl-1-benzofuran-5-yl)-2-propyl-2,5-dihydropyrrole-1-carboxamide
• Synonyms: N-(2-methyl-1-benzofuran-5-yl)-2-propyl-2,5-dihydro-1H-pyrrole-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.083275
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4228044
• LogD (pH = 7.4): 3.4228034
• Log P: 3.4228044
• Molar Refractivity: 85.2753 cm^3
• Polarizability: 32.568645 Å^3
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.63
• LOG S: -4.37
• Polar Surface Area: 45.48 Å^2
• Rotatable Bonds: 3