7-cyclohexyl-2-[4-(dimethylamino)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 320811
• Molecular Formular: C23H33N3O2
• Molecular Mass: 383.52702
• Monoisotopic Mass: 383.25727731
• SMILES: C12(C(=O)N(C3CCCCC3)CCC2)CN(C(=O)c2ccc(N(C)C)cc2)CC1
• Canonical SMILES: O=C1N(CCCC21CCN(C2)C(=O)c1ccc(cc1)N(C)C)C1CCCCC1
• InChI: InChI=1S/C23H33N3O2/c1-24(2)19-11-9-18(10-12-19)21(27)25-16-14-23(17-25)13-6-15-26(22(23)28)20-7-4-3-5-8-20/h9-12,20H,3-8,13-17H2,1-2H3
• InChIKey: GGLUGSYGKVGUPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-cyclohexyl-2-[4-(dimethylamino)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-cyclohexyl-2-[4-(dimethylamino)benzoyl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-cyclohexyl-2-[4-(dimethylamino)benzoyl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.1264775
• LogD (pH = 7.4): 3.1304114
• Log P: 3.1304617
• Molar Refractivity: 112.9855 cm^3
• Polarizability: 42.784813 Å^3
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.98
• LOG S: -4.54
• Polar Surface Area: 43.86 Å^2
• Rotatable Bonds: 3