2-(3-cyclopentylpropanoyl)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 514713
• Molecular Formular: C21H36N2O2
• Molecular Mass: 348.52274
• Monoisotopic Mass: 348.2776784
• SMILES: C12(C(=O)N(CC(C)(C)C)CCC2)CN(C(=O)CCC2CCCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC(C)(C)C)CCC1CCCC1
• InChI: InChI=1S/C21H36N2O2/c1-20(2,3)15-23-13-6-11-21(19(23)25)12-14-22(16-21)18(24)10-9-17-7-4-5-8-17/h17H,4-16H2,1-3H3
• InChIKey: MZFWFZPNVZLJAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-cyclopentylpropanoyl)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(3-cyclopentylpropanoyl)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(3-cyclopentylpropanoyl)-7-(2,2-dimethylpropyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2933776
• LogD (pH = 7.4): 3.2933805
• Log P: 3.2933805
• Molar Refractivity: 100.7918 cm^3
• Polarizability: 39.63604 Å^3
• Polar Surface Area: 40.62 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: 3.67
• LOG S: -3.62
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5