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

• ChemBase ID: 639725
• Molecular Formular: C16H19N3O3
• Molecular Mass: 301.34036
• Monoisotopic Mass: 301.14264148
• SMILES: C12(C(=O)NC(=O)C1)CN(C(=O)NCc1c(C)cccc1)CC2
• Canonical SMILES: O=C1NC(=O)C2(C1)CCN(C2)C(=O)NCc1ccccc1C
• InChI: InChI=1S/C16H19N3O3/c1-11-4-2-3-5-12(11)9-17-15(22)19-7-6-16(10-19)8-13(20)18-14(16)21/h2-5H,6-10H2,1H3,(H,17,22)(H,18,20,21)
• InChIKey: AALXFMYYPDEQDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.110248
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.4148803
• LogD (pH = 7.4): 0.41405505
• Log P: 0.4148909
• Molar Refractivity: 80.6252 cm^3
• Polarizability: 30.868435 Å^3
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 0.9
• LOG S: -2.18
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 2