8-(2,2-dimethylbutanoyl)-2-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 576186
• Molecular Formular: C22H33N3O2
• Molecular Mass: 371.51632
• Monoisotopic Mass: 371.25727731
• SMILES: N1(C(=O)C(CC)(C)C)CC2(CN(C(=O)CC2)CCc2ncccc2)CCC1
• Canonical SMILES: CCC(C(=O)N1CCCC2(C1)CCC(=O)N(C2)CCc1ccccn1)(C)C
• InChI: InChI=1S/C22H33N3O2/c1-4-21(2,3)20(27)25-14-7-11-22(17-25)12-9-19(26)24(16-22)15-10-18-8-5-6-13-23-18/h5-6,8,13H,4,7,9-12,14-17H2,1-3H3
• InChIKey: SUSOTIGJSXBOAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2,2-dimethylbutanoyl)-2-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(2,2-dimethylbutanoyl)-2-[2-(pyridin-2-yl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(2,2-dimethylbutanoyl)-2-[2-(2-pyridinyl)ethyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.4829268
• LogD (pH = 7.4): 2.5263205
• Log P: 2.526905
• Molar Refractivity: 106.2037 cm^3
• Polarizability: 41.693462 Å^3
• Polar Surface Area: 53.51 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: 2.52
• LOG S: -2.76
• Polar Surface Area: 53.51 Å^2
• Rotatable Bonds: 5