N-[3-(furan-2-yl)propyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

• ChemBase ID: 456525
• Molecular Formular: C15H22N2O4
• Molecular Mass: 294.34618
• Monoisotopic Mass: 294.15795719
• SMILES: C1(C(=O)NCCCc2occc2)CN(C(=O)C1)CCOC
• Canonical SMILES: COCCN1CC(CC1=O)C(=O)NCCCc1ccco1
• InChI: InChI=1S/C15H22N2O4/c1-20-9-7-17-11-12(10-14(17)18)15(19)16-6-2-4-13-5-3-8-21-13/h3,5,8,12H,2,4,6-7,9-11H2,1H3,(H,16,19)
• InChIKey: AOHQKUFWVBBOBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)propyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
• IUPAC Traditional name: N-[3-(furan-2-yl)propyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
• Synonyms: N-[3-(2-furyl)propyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.227947
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.24548121
• LogD (pH = 7.4): -0.24548115
• Log P: -0.24548115
• Molar Refractivity: 77.5164 cm^3
• Polarizability: 29.88802 Å^3
• Polar Surface Area: 71.78 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: -0.03
• LOG S: -2.63
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 8