4-[(2-methylprop-2-en-1-yl)oxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

• ChemBase ID: 697015
• Molecular Formular: C18H24N2O3
• Molecular Mass: 316.39476
• Monoisotopic Mass: 316.17869264
• SMILES: N1(C(=O)CCC1)CCCNC(=O)c1ccc(OCC(=C)C)cc1
• Canonical SMILES: CC(=C)COc1ccc(cc1)C(=O)NCCCN1CCCC1=O
• InChI: InChI=1S/C18H24N2O3/c1-14(2)13-23-16-8-6-15(7-9-16)18(22)19-10-4-12-20-11-3-5-17(20)21/h6-9H,1,3-5,10-13H2,2H3,(H,19,22)
• InChIKey: NRYWROVPUIZXHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-methylprop-2-en-1-yl)oxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
• IUPAC Traditional name: 4-[(2-methylprop-2-en-1-yl)oxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
• Synonyms: 4-[(2-methylprop-2-en-1-yl)oxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.061659
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3970032
• LogD (pH = 7.4): 1.3970035
• Log P: 1.3970035
• Molar Refractivity: 89.992 cm^3
• Polarizability: 34.33337 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.37
• LOG S: -3.54
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 8