7-(2-cyclohexylethyl)-2-(2-cyclopentylacetyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 726761
• Molecular Formular: C23H38N2O2
• Molecular Mass: 374.56002
• Monoisotopic Mass: 374.29332847
• SMILES: C12(C(=O)N(CCC3CCCCC3)CCC2)CN(C(=O)CC2CCCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CCC1CCCCC1)CC1CCCC1
• InChI: InChI=1S/C23H38N2O2/c26-21(17-20-9-4-5-10-20)25-16-13-23(18-25)12-6-14-24(22(23)27)15-11-19-7-2-1-3-8-19/h19-20H,1-18H2
• InChIKey: OABPMVKOMSSVMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-cyclohexylethyl)-2-(2-cyclopentylacetyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2-cyclohexylethyl)-2-(2-cyclopentylacetyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2-cyclohexylethyl)-2-(cyclopentylacetyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7074046
• LogD (pH = 7.4): 3.707406
• Log P: 3.707406
• Molar Refractivity: 108.4715 cm^3
• Polarizability: 42.590748 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: 4.18
• LOG S: -4.93
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 5