N'-(3-ethylphenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]butanediamide

• ChemBase ID: 493609
• Molecular Formular: C17H24N4O3
• Molecular Mass: 332.39746
• Monoisotopic Mass: 332.18484065
• SMILES: C1(=O)N(CCNC(=O)CCC(=O)Nc2cc(ccc2)CC)CCN1
• Canonical SMILES: CCc1cccc(c1)NC(=O)CCC(=O)NCCN1CCNC1=O
• InChI: InChI=1S/C17H24N4O3/c1-2-13-4-3-5-14(12-13)20-16(23)7-6-15(22)18-8-10-21-11-9-19-17(21)24/h3-5,12H,2,6-11H2,1H3,(H,18,22)(H,19,24)(H,20,23)
• InChIKey: JYILLVRPBJOXHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N'-(3-ethylphenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]butanediamide
• IUPAC Traditional name: N'-(3-ethylphenyl)-N-[2-(2-oxoimidazolidin-1-yl)ethyl]succinamide
• Synonyms: N-(3-ethylphenyl)-N'-[2-(2-oxoimidazolidin-1-yl)ethyl]succinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.603272
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.37468687
• LogD (pH = 7.4): 0.37468663
• Log P: 0.3746869
• Molar Refractivity: 92.0701 cm^3
• Polarizability: 34.56207 Å^3
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.19
• LOG S: -2.64
• Polar Surface Area: 90.54 Å^2
• Rotatable Bonds: 8