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

• ChemBase ID: 683326
• Molecular Formular: C20H26N2O2
• Molecular Mass: 326.43264
• Monoisotopic Mass: 326.19942808
• SMILES: C1(=O)N(CC2(CC1c1ccccc1)CCN(C(=O)C1CC1)CC2)C
• Canonical SMILES: O=C1N(C)CC2(CC1c1ccccc1)CCN(CC2)C(=O)C1CC1
• InChI: InChI=1S/C20H26N2O2/c1-21-14-20(9-11-22(12-10-20)18(23)16-7-8-16)13-17(19(21)24)15-5-3-2-4-6-15/h2-6,16-17H,7-14H2,1H3
• InChIKey: XDACEGAKKBHTNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7581933
• LogD (pH = 7.4): 1.7581936
• Log P: 1.7581936
• Molar Refractivity: 93.4901 cm^3
• Polarizability: 36.337315 Å^3
• Polar Surface Area: 40.62 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: 1.92
• LOG S: -3.22
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 2