N-(3,5-dimethylphenyl)-2-oxo-2-{3-oxo-2,8-diazaspiro[4.5]decan-8-yl}acetamide

• ChemBase ID: 679270
• Molecular Formular: C18H23N3O3
• Molecular Mass: 329.39352
• Monoisotopic Mass: 329.17394161
• SMILES: C(=O)(C(=O)N1CCC2(CC(=O)NC2)CC1)Nc1cc(cc(c1)C)C
• Canonical SMILES: O=C1NCC2(C1)CCN(CC2)C(=O)C(=O)Nc1cc(C)cc(c1)C
• InChI: InChI=1S/C18H23N3O3/c1-12-7-13(2)9-14(8-12)20-16(23)17(24)21-5-3-18(4-6-21)10-15(22)19-11-18/h7-9H,3-6,10-11H2,1-2H3,(H,19,22)(H,20,23)
• InChIKey: TZHDJZODKWJGIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,5-dimethylphenyl)-2-oxo-2-{3-oxo-2,8-diazaspiro[4.5]decan-8-yl}acetamide
• IUPAC Traditional name: N-(3,5-dimethylphenyl)-2-oxo-2-{3-oxo-2,8-diazaspiro[4.5]decan-8-yl}acetamide
• Synonyms: N-(3,5-dimethylphenyl)-2-oxo-2-(3-oxo-2,8-diazaspiro[4.5]dec-8-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.270564
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0541005
• LogD (pH = 7.4): 1.0540457
• Log P: 1.0541012
• Molar Refractivity: 92.0783 cm^3
• Polarizability: 34.45301 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: 0.65
• LOG S: -2.15
• Polar Surface Area: 78.51 Å^2
• Rotatable Bonds: 2