3-[2-(2,5-dioxoimidazolidin-1-yl)acetamido]-N-(2-ethylphenyl)benzamide

• ChemBase ID: 690846
• Molecular Formular: C20H20N4O4
• Molecular Mass: 380.3972
• Monoisotopic Mass: 380.14845514
• SMILES: N1(C(=O)NCC1=O)CC(=O)Nc1cc(C(=O)Nc2c(CC)cccc2)ccc1
• Canonical SMILES: CCc1ccccc1NC(=O)c1cccc(c1)NC(=O)CN1C(=O)CNC1=O
• InChI: InChI=1S/C20H20N4O4/c1-2-13-6-3-4-9-16(13)23-19(27)14-7-5-8-15(10-14)22-17(25)12-24-18(26)11-21-20(24)28/h3-10H,2,11-12H2,1H3,(H,21,28)(H,22,25)(H,23,27)
• InChIKey: LTZSCPGPKVAXQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[2-(2,5-dioxoimidazolidin-1-yl)acetamido]-N-(2-ethylphenyl)benzamide
• IUPAC Traditional name: 3-[2-(2,5-dioxoimidazolidin-1-yl)acetamido]-N-(2-ethylphenyl)benzamide
• Synonyms: 3-{[(2,5-dioxoimidazolidin-1-yl)acetyl]amino}-N-(2-ethylphenyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.440685
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): 1.7356151
• LogD (pH = 7.4): 1.7355765
• Log P: 1.7356156
• Molar Refractivity: 105.4804 cm^3
• Polarizability: 38.676907 Å^3
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.17
• LOG S: -3.14
• Polar Surface Area: 107.61 Å^2
• Rotatable Bonds: 6