2-(2-cyclohexylacetyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 563532
• Molecular Formular: C19H32N2O3
• Molecular Mass: 336.46898
• Monoisotopic Mass: 336.24129289
• SMILES: C12(C(=O)N(CCC2)CCOC)CN(C(=O)CC2CCCCC2)CC1
• Canonical SMILES: COCCN1CCCC2(C1=O)CCN(C2)C(=O)CC1CCCCC1
• InChI: InChI=1S/C19H32N2O3/c1-24-13-12-20-10-5-8-19(18(20)23)9-11-21(15-19)17(22)14-16-6-3-2-4-7-16/h16H,2-15H2,1H3
• InChIKey: TYWLUXRJJSLAGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-cyclohexylacetyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(2-cyclohexylacetyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(cyclohexylacetyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6241001
• LogD (pH = 7.4): 1.624101
• Log P: 1.624101
• Molar Refractivity: 93.693 cm^3
• Polarizability: 36.657654 Å^3
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.03
• LOG S: -2.64
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 4