2-cyclopropyl-N-(2,4-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

• ChemBase ID: 548037
• Molecular Formular: C21H29N3O2
• Molecular Mass: 355.47386
• Monoisotopic Mass: 355.22597718
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)Nc1c(cc(cc1)C)C)CC2)C1CC1
• Canonical SMILES: Cc1ccc(c(c1)C)NC(=O)N1CCC2(CC1)CCC(=O)N(C2)C1CC1
• InChI: InChI=1S/C21H29N3O2/c1-15-3-6-18(16(2)13-15)22-20(26)23-11-9-21(10-12-23)8-7-19(25)24(14-21)17-4-5-17/h3,6,13,17H,4-5,7-12,14H2,1-2H3,(H,22,26)
• InChIKey: FJDKNCAQZZZKAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-N-(2,4-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• IUPAC Traditional name: 2-cyclopropyl-N-(2,4-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide
• Synonyms: 2-cyclopropyl-N-(2,4-dimethylphenyl)-3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.000093
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.701713
• LogD (pH = 7.4): 2.7017133
• Log P: 2.7017133
• Molar Refractivity: 103.8468 cm^3
• Polarizability: 39.152275 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.39
• LOG S: -3.83
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 2