4-[(2-methylprop-2-en-1-yl)oxy]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-(propan-2-yl)benzamide

• ChemBase ID: 421507
• Molecular Formular: C19H26N2O3
• Molecular Mass: 330.42134
• Monoisotopic Mass: 330.1943427
• SMILES: C(=O)(N(CC1NC(=O)CC1)C(C)C)c1ccc(OCC(=C)C)cc1
• Canonical SMILES: CC(N(C(=O)c1ccc(cc1)OCC(=C)C)CC1CCC(=O)N1)C
• InChI: InChI=1S/C19H26N2O3/c1-13(2)12-24-17-8-5-15(6-9-17)19(23)21(14(3)4)11-16-7-10-18(22)20-16/h5-6,8-9,14,16H,1,7,10-12H2,2-4H3,(H,20,22)
• InChIKey: DHBZDADIFQIKOF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[(2-methylprop-2-en-1-yl)oxy]-N-[(5-oxopyrrolidin-2-yl)methyl]-N-(propan-2-yl)benzamide
• IUPAC Traditional name: N-isopropyl-4-[(2-methylprop-2-en-1-yl)oxy]-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide
• Synonyms: N-isopropyl-4-[(2-methylprop-2-en-1-yl)oxy]-N-[(5-oxopyrrolidin-2-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.9601755
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1701937
• LogD (pH = 7.4): 2.1701937
• Log P: 2.170194
• Molar Refractivity: 93.9642 cm^3
• Polarizability: 36.172752 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.4
• LOG S: -3.66
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 7