N-(2,5-dimethylphenyl)-6,8-dioxo-2,7-diazaspiro[4.4]nonane-2-carboxamide

• ChemBase ID: 664771
• Molecular Formular: C16H19N3O3
• Molecular Mass: 301.34036
• Monoisotopic Mass: 301.14264148
• SMILES: C12(C(=O)NC(=O)C1)CN(C(=O)Nc1c(ccc(c1)C)C)CC2
• Canonical SMILES: O=C1NC(=O)C2(C1)CCN(C2)C(=O)Nc1cc(C)ccc1C
• InChI: InChI=1S/C16H19N3O3/c1-10-3-4-11(2)12(7-10)17-15(22)19-6-5-16(9-19)8-13(20)18-14(16)21/h3-4,7H,5-6,8-9H2,1-2H3,(H,17,22)(H,18,20,21)
• InChIKey: OSYWZYAWLKRDHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,5-dimethylphenyl)-6,8-dioxo-2,7-diazaspiro[4.4]nonane-2-carboxamide
• IUPAC Traditional name: N-(2,5-dimethylphenyl)-6,8-dioxo-2,7-diazaspiro[4.4]nonane-2-carboxamide
• Synonyms: N-(2,5-dimethylphenyl)-6,8-dioxo-2,7-diazaspiro[4.4]nonane-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.110112
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.221397
• LogD (pH = 7.4): 1.2205715
• Log P: 1.2214077
• Molar Refractivity: 82.6122 cm^3
• Polarizability: 30.784548 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.01
• LOG S: -2.72
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 1