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

• ChemBase ID: 691189
• Molecular Formular: C22H33N3O2
• Molecular Mass: 371.51632
• Monoisotopic Mass: 371.25727731
• SMILES: N1(C(=O)CC(C(=O)NC(CC2Cc3c(C2)cccc3)(C)C)C1)CCN(C)C
• Canonical SMILES: CN(CCN1CC(CC1=O)C(=O)NC(CC1Cc2c(C1)cccc2)(C)C)C
• InChI: InChI=1S/C22H33N3O2/c1-22(2,14-16-11-17-7-5-6-8-18(17)12-16)23-21(27)19-13-20(26)25(15-19)10-9-24(3)4/h5-8,16,19H,9-15H2,1-4H3,(H,23,27)
• InChIKey: LOIORSQDPMREQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.8279
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.9050097
• LogD (pH = 7.4): 0.85030437
• Log P: 1.949666
• Molar Refractivity: 108.7917 cm^3
• Polarizability: 42.124428 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.21
• LOG S: -3.8
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7