2-ethyl-9-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 576646
• Molecular Formular: C18H26N2O
• Molecular Mass: 286.41184
• Monoisotopic Mass: 286.20451346
• SMILES: C1(=O)N(CC2(CC1c1ccccc1)CCN(CC2)C)CC
• Canonical SMILES: CCN1CC2(CCN(CC2)C)CC(C1=O)c1ccccc1
• InChI: InChI=1S/C18H26N2O/c1-3-20-14-18(9-11-19(2)12-10-18)13-16(17(20)21)15-7-5-4-6-8-15/h4-8,16H,3,9-14H2,1-2H3
• InChIKey: WZPWQVABBPHHIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethyl-9-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-ethyl-9-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-ethyl-9-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.0861405
• LogD (pH = 7.4): 0.5131878
• Log P: 2.108311
• Molar Refractivity: 86.5683 cm^3
• Polarizability: 33.71719 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.67
• LOG S: -3.57
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 2