N-(2,3-dihydro-1H-inden-2-yl)-N-propyloxolane-3-carboxamide

• ChemBase ID: 503198
• Molecular Formular: C17H23NO2
• Molecular Mass: 273.37002
• Monoisotopic Mass: 273.17287898
• SMILES: C(=O)(N(C1Cc2c(C1)cccc2)CCC)C1COCC1
• Canonical SMILES: CCCN(C(=O)C1COCC1)C1Cc2c(C1)cccc2
• InChI: InChI=1S/C17H23NO2/c1-2-8-18(17(19)15-7-9-20-12-15)16-10-13-5-3-4-6-14(13)11-16/h3-6,15-16H,2,7-12H2,1H3
• InChIKey: OBWISVRSLQKZBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,3-dihydro-1H-inden-2-yl)-N-propyloxolane-3-carboxamide
• IUPAC Traditional name: N-(2,3-dihydro-1H-inden-2-yl)-N-propyloxolane-3-carboxamide
• Synonyms: N-(2,3-dihydro-1H-inden-2-yl)-N-propyltetrahydrofuran-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5415285
• LogD (pH = 7.4): 2.5415287
• Log P: 2.5415287
• Molar Refractivity: 79.875 cm^3
• Polarizability: 31.024426 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.4
• LOG S: -3.24
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 4