N3-ethyl-N1-[2-(2-methoxyethoxy)phenyl]pyrrolidine-1,3-dicarboxamide

• ChemBase ID: 340751
• Molecular Formular: C17H25N3O4
• Molecular Mass: 335.3981
• Monoisotopic Mass: 335.1845063
• SMILES: C(=O)(N1CC(C(=O)NCC)CC1)Nc1c(OCCOC)cccc1
• Canonical SMILES: COCCOc1ccccc1NC(=O)N1CCC(C1)C(=O)NCC
• InChI: InChI=1S/C17H25N3O4/c1-3-18-16(21)13-8-9-20(12-13)17(22)19-14-6-4-5-7-15(14)24-11-10-23-2/h4-7,13H,3,8-12H2,1-2H3,(H,18,21)(H,19,22)
• InChIKey: FENWNSVWEFHWPG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N3-ethyl-N1-[2-(2-methoxyethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
• IUPAC Traditional name: N3-ethyl-N1-[2-(2-methoxyethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
• Synonyms: N~3~-ethyl-N~1~-[2-(2-methoxyethoxy)phenyl]pyrrolidine-1,3-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.871212
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.67810667
• LogD (pH = 7.4): 0.6780929
• Log P: 0.67810684
• Molar Refractivity: 91.9922 cm^3
• Polarizability: 34.804756 Å^3
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.16
• LOG S: -2.82
• Polar Surface Area: 79.9 Å^2
• Rotatable Bonds: 7