7-(cyclohexylmethyl)-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 739771
• Molecular Formular: C18H30N2O2
• Molecular Mass: 306.443
• Monoisotopic Mass: 306.23072821
• SMILES: C12(C(=O)N(CC3CCCCC3)CCC2)CN(C(=O)CC)CC1
• Canonical SMILES: CCC(=O)N1CCC2(C1)CCCN(C2=O)CC1CCCCC1
• InChI: InChI=1S/C18H30N2O2/c1-2-16(21)20-12-10-18(14-20)9-6-11-19(17(18)22)13-15-7-4-3-5-8-15/h15H,2-14H2,1H3
• InChIKey: JTZCZFHSDAZGME-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclohexylmethyl)-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(cyclohexylmethyl)-2-propanoyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(cyclohexylmethyl)-2-propionyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1837904
• LogD (pH = 7.4): 2.1837919
• Log P: 2.1837919
• Molar Refractivity: 87.2441 cm^3
• Polarizability: 34.113663 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.09
• LOG S: -2.68
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2