1-methyl-N-(oxolan-2-ylmethyl)-N-propyl-1H-indole-2-carboxamide

• ChemBase ID: 845503
• Molecular Formular: C18H24N2O2
• Molecular Mass: 300.39536
• Monoisotopic Mass: 300.18377802
• SMILES: c1(n(c2c(c1)cccc2)C)C(=O)N(CC1OCCC1)CCC
• Canonical SMILES: CCCN(C(=O)c1cc2c(n1C)cccc2)CC1CCCO1
• InChI: InChI=1S/C18H24N2O2/c1-3-10-20(13-15-8-6-11-22-15)18(21)17-12-14-7-4-5-9-16(14)19(17)2/h4-5,7,9,12,15H,3,6,8,10-11,13H2,1-2H3
• InChIKey: QCGLNQAHGUBNHT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-N-(oxolan-2-ylmethyl)-N-propyl-1H-indole-2-carboxamide
• IUPAC Traditional name: 1-methyl-N-(oxolan-2-ylmethyl)-N-propylindole-2-carboxamide
• Synonyms: 1-methyl-N-propyl-N-(tetrahydrofuran-2-ylmethyl)-1H-indole-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8115966
• LogD (pH = 7.4): 2.8115969
• Log P: 2.8115969
• Molar Refractivity: 88.3178 cm^3
• Polarizability: 34.837154 Å^3
• Polar Surface Area: 34.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 1.46
• LOG S: -2.64
• Polar Surface Area: 34.47 Å^2
• Rotatable Bonds: 5