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

• ChemBase ID: 387534
• Molecular Formular: C20H30N2O2
• Molecular Mass: 330.4644
• Monoisotopic Mass: 330.23072821
• SMILES: C12(C(=O)N(CC3CCCCC3)CCC2)CN(Cc2occc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)Cc1ccco1)CC1CCCCC1
• InChI: InChI=1S/C20H30N2O2/c23-19-20(10-12-21(16-20)15-18-8-4-13-24-18)9-5-11-22(19)14-17-6-2-1-3-7-17/h4,8,13,17H,1-3,5-7,9-12,14-16H2
• InChIKey: ZKFVMTFCQUTPTQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.2350585
• LogD (pH = 7.4): 1.2729226
• Log P: 3.0410814
• Molar Refractivity: 95.3495 cm^3
• Polarizability: 37.201935 Å^3
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.96
• LOG S: -2.5
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 4