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

• ChemBase ID: 665421
• Molecular Formular: C20H34N2O2
• Molecular Mass: 334.49616
• Monoisotopic Mass: 334.26202834
• SMILES: C12(C(=O)N(CCC3CCCCC3)CCC2)CN(C(=O)C(C)C)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CCC1CCCCC1)C(C)C
• InChI: InChI=1S/C20H34N2O2/c1-16(2)18(23)22-14-11-20(15-22)10-6-12-21(19(20)24)13-9-17-7-4-3-5-8-17/h16-17H,3-15H2,1-2H3
• InChIKey: KXZVGVCFQOJODZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0933921
• LogD (pH = 7.4): 3.093393
• Log P: 3.093393
• Molar Refractivity: 96.4966 cm^3
• Polarizability: 37.794704 Å^3
• Polar Surface Area: 40.62 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: 2.93
• LOG S: -3.64
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3