2-methyl-8-(2-propoxybenzoyl)-2,8-diazaspiro[4.5]decane

• ChemBase ID: 615926
• Molecular Formular: C19H28N2O2
• Molecular Mass: 316.43782
• Monoisotopic Mass: 316.21507815
• SMILES: C(=O)(c1c(OCCC)cccc1)N1CCC2(CN(CC2)C)CC1
• Canonical SMILES: CCCOc1ccccc1C(=O)N1CCC2(CC1)CCN(C2)C
• InChI: InChI=1S/C19H28N2O2/c1-3-14-23-17-7-5-4-6-16(17)18(22)21-12-9-19(10-13-21)8-11-20(2)15-19/h4-7H,3,8-15H2,1-2H3
• InChIKey: CFIDFQNGTFXFMX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-8-(2-propoxybenzoyl)-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-methyl-8-(2-propoxybenzoyl)-2,8-diazaspiro[4.5]decane
• Synonyms: 2-methyl-8-(2-propoxybenzoyl)-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.9888866
• LogD (pH = 7.4): 0.32951018
• Log P: 2.384772
• Molar Refractivity: 93.6012 cm^3
• Polarizability: 36.005337 Å^3
• Polar Surface Area: 32.78 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: 2.37
• LOG S: -3.53
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4