3-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

• ChemBase ID: 368885
• Molecular Formular: C19H22N2O3
• Molecular Mass: 326.38958
• Monoisotopic Mass: 326.16304257
• SMILES: c1(oc(cc1)C)c1cc(C(=O)NCCCN2C(=O)CCC2)ccc1
• Canonical SMILES: O=C1CCCN1CCCNC(=O)c1cccc(c1)c1ccc(o1)C
• InChI: InChI=1S/C19H22N2O3/c1-14-8-9-17(24-14)15-5-2-6-16(13-15)19(23)20-10-4-12-21-11-3-7-18(21)22/h2,5-6,8-9,13H,3-4,7,10-12H2,1H3,(H,20,23)
• InChIKey: RVDTUXXVFWWLJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
• IUPAC Traditional name: 3-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
• Synonyms: 3-(5-methyl-2-furyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.892599
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4870968
• LogD (pH = 7.4): 1.487097
• Log P: 1.487097
• Molar Refractivity: 92.7609 cm^3
• Polarizability: 36.107346 Å^3
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.3
• LOG S: -3.54
• Polar Surface Area: 62.55 Å^2
• Rotatable Bonds: 6