4-(2,4-dioxoimidazolidin-1-yl)-N-[(2-ethoxyphenyl)methyl]-N-(prop-2-en-1-yl)benzamide

• ChemBase ID: 446085
• Molecular Formular: C22H23N3O4
• Molecular Mass: 393.43572
• Monoisotopic Mass: 393.16885623
• SMILES: C1(=O)NC(=O)CN1c1ccc(C(=O)N(Cc2c(OCC)cccc2)CC=C)cc1
• Canonical SMILES: C=CCN(C(=O)c1ccc(cc1)N1CC(=O)NC1=O)Cc1ccccc1OCC
• InChI: InChI=1S/C22H23N3O4/c1-3-13-24(14-17-7-5-6-8-19(17)29-4-2)21(27)16-9-11-18(12-10-16)25-15-20(26)23-22(25)28/h3,5-12H,1,4,13-15H2,2H3,(H,23,26,28)
• InChIKey: IIDCDCMWRVGDTH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(2-ethoxyphenyl)methyl]-N-(prop-2-en-1-yl)benzamide
• IUPAC Traditional name: 4-(2,4-dioxoimidazolidin-1-yl)-N-[(2-ethoxyphenyl)methyl]-N-(prop-2-en-1-yl)benzamide
• Synonyms: N-allyl-4-(2,4-dioxoimidazolidin-1-yl)-N-(2-ethoxybenzyl)benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.064492
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.384149
• LogD (pH = 7.4): 2.37507
• Log P: 2.3842661
• Molar Refractivity: 109.5793 cm^3
• Polarizability: 41.44559 Å^3
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.71
• LOG S: -4.38
• Polar Surface Area: 78.95 Å^2
• Rotatable Bonds: 8