3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[3-(propan-2-yloxy)propyl]propanamide

• ChemBase ID: 686465
• Molecular Formular: C15H28N2O3
• Molecular Mass: 284.39442
• Monoisotopic Mass: 284.20999277
• SMILES: N1C(=O)CCC1(CCC(=O)NCCCOC(C)C)CC
• Canonical SMILES: CCC1(CCC(=O)NCCCOC(C)C)CCC(=O)N1
• InChI: InChI=1S/C15H28N2O3/c1-4-15(9-7-14(19)17-15)8-6-13(18)16-10-5-11-20-12(2)3/h12H,4-11H2,1-3H3,(H,16,18)(H,17,19)
• InChIKey: DADOYPJZXNEIQD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-[3-(propan-2-yloxy)propyl]propanamide
• IUPAC Traditional name: 3-(2-ethyl-5-oxopyrrolidin-2-yl)-N-(3-isopropoxypropyl)propanamide
• Synonyms: 3-(2-ethyl-5-oxo-2-pyrrolidinyl)-N-(3-isopropoxypropyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.33489
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.49001452
• LogD (pH = 7.4): 0.4900147
• Log P: 0.49001473
• Molar Refractivity: 78.4245 cm^3
• Polarizability: 30.753216 Å^3
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.0
• LOG S: -1.5
• Polar Surface Area: 67.43 Å^2
• Rotatable Bonds: 7