(2S)-N2-[2-(2-fluorophenoxy)ethyl]-N2-(2-methoxyethyl)pyrrolidine-1,2-dicarboxamide

• ChemBase ID: 693273
• Molecular Formular: C17H24FN3O4
• Molecular Mass: 353.3885632
• Monoisotopic Mass: 353.17508448
• SMILES: N1([C@H](C(=O)N(CCOc2c(F)cccc2)CCOC)CCC1)C(=O)N
• Canonical SMILES: COCCN(C(=O)[C@@H]1CCCN1C(=O)N)CCOc1ccccc1F
• InChI: InChI=1S/C17H24FN3O4/c1-24-11-9-20(10-12-25-15-7-3-2-5-13(15)18)16(22)14-6-4-8-21(14)17(19)23/h2-3,5,7,14H,4,6,8-12H2,1H3,(H2,19,23)/t14-/m0/s1
• InChIKey: AXLZZIHYIRAZQY-AWEZNQCLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-N2-[2-(2-fluorophenoxy)ethyl]-N2-(2-methoxyethyl)pyrrolidine-1,2-dicarboxamide
• IUPAC Traditional name: (2S)-N2-[2-(2-fluorophenoxy)ethyl]-N2-(2-methoxyethyl)pyrrolidine-1,2-dicarboxamide
• Synonyms: (2S)-N~2~-[2-(2-fluorophenoxy)ethyl]-N~2~-(2-methoxyethyl)pyrrolidine-1,2-dicarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.10151
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.55944085
• LogD (pH = 7.4): 0.5594409
• Log P: 0.5594409
• Molar Refractivity: 89.7346 cm^3
• Polarizability: 34.55334 Å^3
• Polar Surface Area: 85.1 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -0.25
• LOG S: -2.87
• Polar Surface Area: 85.1 Å^2
• Rotatable Bonds: 8