7-(2,2-dimethylpropyl)-2-[(2E)-2-methylbut-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 670159
• Molecular Formular: C18H32N2O
• Molecular Mass: 292.45948
• Monoisotopic Mass: 292.25146365
• SMILES: C12(C(=O)N(CC(C)(C)C)CCC2)CN(C/C(=C/C)/C)CC1
• Canonical SMILES: C/C=C(/CN1CCC2(C1)CCCN(C2=O)CC(C)(C)C)\C
• InChI: InChI=1S/C18H32N2O/c1-6-15(2)12-19-11-9-18(14-19)8-7-10-20(16(18)21)13-17(3,4)5/h6H,7-14H2,1-5H3/b15-6+
• InChIKey: HDAFYYCSXWCGCL-GIDUJCDVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2,2-dimethylpropyl)-2-[(2E)-2-methylbut-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 7-(2,2-dimethylpropyl)-2-[(2E)-2-methylbut-2-en-1-yl]-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 7-(2,2-dimethylpropyl)-2-[(2E)-2-methyl-2-buten-1-yl]-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.3146864
• LogD (pH = 7.4): 0.73653054
• Log P: 3.1256287
• Molar Refractivity: 89.8615 cm^3
• Polarizability: 34.931797 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.66
• LOG S: -2.18
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4