1-{7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-phenylethane-1,2-dione

• ChemBase ID: 833978
• Molecular Formular: C22H28N2O3
• Molecular Mass: 368.46932
• Monoisotopic Mass: 368.20999277
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)C(=O)c2ccccc2)CC1
• Canonical SMILES: O=C(C(=O)c1ccccc1)N1CCC2(C1)CCCN(C2=O)C1CCCCC1
• InChI: InChI=1S/C22H28N2O3/c25-19(17-8-3-1-4-9-17)20(26)23-15-13-22(16-23)12-7-14-24(21(22)27)18-10-5-2-6-11-18/h1,3-4,8-9,18H,2,5-7,10-16H2
• InChIKey: NMQCNHBGTRGOLK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-phenylethane-1,2-dione
• IUPAC Traditional name: 1-{7-cyclohexyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl}-2-phenylethane-1,2-dione
• Synonyms: 7-cyclohexyl-2-[oxo(phenyl)acetyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.8820746
• LogD (pH = 7.4): 2.8820765
• Log P: 2.8820765
• Molar Refractivity: 103.4984 cm^3
• Polarizability: 40.07418 Å^3
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.5
• LOG S: -4.02
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 3