4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide

• ChemBase ID: 704335
• Molecular Formular: C18H22N4O4
• Molecular Mass: 358.39168
• Monoisotopic Mass: 358.1641052
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)NC2(C(=O)NC)CCCCC2)cc1
• Canonical SMILES: CNC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)N1CC(=O)NC1=O
• InChI: InChI=1S/C18H22N4O4/c1-19-16(25)18(9-3-2-4-10-18)21-15(24)12-5-7-13(8-6-12)22-11-14(23)20-17(22)26/h5-8H,2-4,9-11H2,1H3,(H,19,25)(H,21,24)(H,20,23,26)
• InChIKey: PGQHIXYIEFKKNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[1-(methylcarbamoyl)cyclohexyl]benzamide
• Synonyms: 4-(2,4-dioxoimidazolidin-1-yl)-N-{1-[(methylamino)carbonyl]cyclohexyl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064494
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 0.42774773
• LogD (pH = 7.4): 0.41866893
• Log P: 0.42786485
• Molar Refractivity: 93.553 cm^3
• Polarizability: 35.655804 Å^3
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.34
• LOG S: -2.83
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 4