2-(2,4-dioxoimidazolidin-1-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide

• ChemBase ID: 366615
• Molecular Formular: C18H22N4O3
• Molecular Mass: 342.39228
• Monoisotopic Mass: 342.16919058
• SMILES: C1(=O)NC(=O)CN1CC(=O)NCc1c2[nH]c(c(c2cc(c1)C)C)CC
• Canonical SMILES: CCc1[nH]c2c(c1C)cc(cc2CNC(=O)CN1CC(=O)NC1=O)C
• InChI: InChI=1S/C18H22N4O3/c1-4-14-11(3)13-6-10(2)5-12(17(13)20-14)7-19-15(23)8-22-9-16(24)21-18(22)25/h5-6,20H,4,7-9H2,1-3H3,(H,19,23)(H,21,24,25)
• InChIKey: MMGSUTAJDKBARZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dioxoimidazolidin-1-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2,4-dioxoimidazolidin-1-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide
• Synonyms: 2-(2,4-dioxoimidazolidin-1-yl)-N-[(2-ethyl-3,5-dimethyl-1H-indol-7-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.617757
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.2403013
• LogD (pH = 7.4): 1.2377415
• Log P: 1.2403339
• Molar Refractivity: 94.2015 cm^3
• Polarizability: 36.60688 Å^3
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 3
• Log P: 1.44
• LOG S: -2.93
• Polar Surface Area: 94.3 Å^2
• Rotatable Bonds: 5