N-ethyl-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-en-1-yl)acetamide

• ChemBase ID: 541225
• Molecular Formular: C23H32N2O5
• Molecular Mass: 416.51058
• Monoisotopic Mass: 416.23112213
• SMILES: C1(C(=O)N(C(=O)C1)CCCOC)(CC(=O)N(CC(=C)C)CC)c1c(OC)cccc1
• Canonical SMILES: COCCCN1C(=O)CC(C1=O)(CC(=O)N(CC(=C)C)CC)c1ccccc1OC
• InChI: InChI=1S/C23H32N2O5/c1-6-24(16-17(2)3)20(26)14-23(18-10-7-8-11-19(18)30-5)15-21(27)25(22(23)28)12-9-13-29-4/h7-8,10-11H,2,6,9,12-16H2,1,3-5H3
• InChIKey: WMPLOFTZPSJPKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-en-1-yl)acetamide
• IUPAC Traditional name: N-ethyl-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxopyrrolidin-3-yl]-N-(2-methylprop-2-en-1-yl)acetamide
• Synonyms: N-ethyl-2-[3-(2-methoxyphenyl)-1-(3-methoxypropyl)-2,5-dioxo-3-pyrrolidinyl]-N-(2-methyl-2-propen-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.52222
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4144772
• LogD (pH = 7.4): 1.4144775
• Log P: 1.4144775
• Molar Refractivity: 114.796 cm^3
• Polarizability: 44.535683 Å^3
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.46
• LOG S: -3.06
• Polar Surface Area: 76.15 Å^2
• Rotatable Bonds: 8