7-(2-cyclohexylethyl)-2-(3-methylfuran-2-carbonyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 569995
• Molecular Formular: C22H34N2O2
• Molecular Mass: 358.51756
• Monoisotopic Mass: 358.26202834
• SMILES: C(=O)(N1CC2(CN(CCC3CCCCC3)CCC2)CC1)c1c(cco1)C
• Canonical SMILES: Cc1ccoc1C(=O)N1CCC2(C1)CCCN(C2)CCC1CCCCC1
• InChI: InChI=1S/C22H34N2O2/c1-18-9-15-26-20(18)21(25)24-14-11-22(17-24)10-5-12-23(16-22)13-8-19-6-3-2-4-7-19/h9,15,19H,2-8,10-14,16-17H2,1H3
• InChIKey: BHDUBYOGFFZHPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-cyclohexylethyl)-2-(3-methylfuran-2-carbonyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-cyclohexylethyl)-2-(3-methylfuran-2-carbonyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-cyclohexylethyl)-2-(3-methyl-2-furoyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.45226917
• LogD (pH = 7.4): 1.602718
• Log P: 3.873587
• Molar Refractivity: 105.5665 cm^3
• Polarizability: 40.59963 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: 4.46
• LOG S: -4.56
• Polar Surface Area: 36.69 Å^2
• Rotatable Bonds: 4