N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 785891
• Molecular Formular: C20H28N2O2
• Molecular Mass: 328.44852
• Monoisotopic Mass: 328.21507815
• SMILES: C1(C(=O)NC(CC2Cc3c(C2)cccc3)(C)C)CN(C(=O)C1)CC
• Canonical SMILES: CCN1CC(CC1=O)C(=O)NC(CC1Cc2c(C1)cccc2)(C)C
• InChI: InChI=1S/C20H28N2O2/c1-4-22-13-17(11-18(22)23)19(24)21-20(2,3)12-14-9-15-7-5-6-8-16(15)10-14/h5-8,14,17H,4,9-13H2,1-3H3,(H,21,24)
• InChIKey: XRQLCTSKYWQIPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
• Synonyms: N-[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]-1-ethyl-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.780269
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.2878292
• LogD (pH = 7.4): 2.2878294
• Log P: 2.2878294
• Molar Refractivity: 95.5212 cm^3
• Polarizability: 36.91324 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.59
• LOG S: -3.81
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 5