N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,3,4-trimethoxybenzamide

• ChemBase ID: 637947
• Molecular Formular: C19H28N2O5
• Molecular Mass: 364.43602
• Monoisotopic Mass: 364.19982201
• SMILES: c1(C(=O)NC2CC(=O)N(C2)CC(C)(C)C)c(c(c(cc1)OC)OC)OC
• Canonical SMILES: COc1c(ccc(c1OC)OC)C(=O)NC1CC(=O)N(C1)CC(C)(C)C
• InChI: InChI=1S/C19H28N2O5/c1-19(2,3)11-21-10-12(9-15(21)22)20-18(23)13-7-8-14(24-4)17(26-6)16(13)25-5/h7-8,12H,9-11H2,1-6H3,(H,20,23)
• InChIKey: IZPHMKPFOVMGGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,3,4-trimethoxybenzamide
• IUPAC Traditional name: N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,3,4-trimethoxybenzamide
• Synonyms: N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2,3,4-trimethoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.036076
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4404999
• LogD (pH = 7.4): 1.4405
• Log P: 1.4405001
• Molar Refractivity: 97.6658 cm^3
• Polarizability: 37.816425 Å^3
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.15
• LOG S: -2.84
• Polar Surface Area: 77.1 Å^2
• Rotatable Bonds: 7