N-(2,6-dimethylphenyl)-4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidine-1-carboxamide

• ChemBase ID: 408502
• Molecular Formular: C20H28N4O3
• Molecular Mass: 372.46132
• Monoisotopic Mass: 372.21614078
• SMILES: N1C(=O)C(NC1=O)(C1CCN(C(=O)Nc2c(cccc2C)C)CC1)CCC
• Canonical SMILES: CCCC1(NC(=O)NC1=O)C1CCN(CC1)C(=O)Nc1c(C)cccc1C
• InChI: InChI=1S/C20H28N4O3/c1-4-10-20(17(25)22-18(26)23-20)15-8-11-24(12-9-15)19(27)21-16-13(2)6-5-7-14(16)3/h5-7,15H,4,8-12H2,1-3H3,(H,21,27)(H2,22,23,25,26)
• InChIKey: XFVUEMBTWHNJQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,6-dimethylphenyl)-4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidine-1-carboxamide
• IUPAC Traditional name: N-(2,6-dimethylphenyl)-4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidine-1-carboxamide
• Synonyms: N-(2,6-dimethylphenyl)-4-(2,5-dioxo-4-propylimidazolidin-4-yl)piperidine-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.171564
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 2.8104265
• LogD (pH = 7.4): 2.8097098
• Log P: 2.8104358
• Molar Refractivity: 104.3842 cm^3
• Polarizability: 39.273785 Å^3
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 2.59
• LOG S: -4.13
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 4