2-(2,5-dioxoimidazolidin-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide

• ChemBase ID: 650471
• Molecular Formular: C15H16N4O4
• Molecular Mass: 316.31194
• Monoisotopic Mass: 316.11715501
• SMILES: N1(C(=O)NCC1=O)CC(=O)NCc1[nH]c2c(c1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)cc([nH]2)CNC(=O)CN1C(=O)CNC1=O
• InChI: InChI=1S/C15H16N4O4/c1-23-11-2-3-12-9(5-11)4-10(18-12)6-16-13(20)8-19-14(21)7-17-15(19)22/h2-5,18H,6-8H2,1H3,(H,16,20)(H,17,22)
• InChIKey: JYONTJQMIXUNAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-1-yl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide
• Synonyms: 2-(2,5-dioxo-1-imidazolidinyl)-N-[(5-methoxy-1H-indol-2-yl)methyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.054535
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.7462628
• LogD (pH = 7.4): -0.74627215
• Log P: -0.74626267
• Molar Refractivity: 80.7861 cm^3
• Polarizability: 32.026165 Å^3
• Polar Surface Area: 103.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.69
• LOG S: -2.23
• Polar Surface Area: 103.53 Å^2
• Rotatable Bonds: 5