N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxamide

• ChemBase ID: 549678
• Molecular Formular: C15H24N4O2
• Molecular Mass: 292.37666
• Monoisotopic Mass: 292.18992603
• SMILES: N1(C(=O)CC(C(=O)N(CCn2c(ncc2)C)C)C1)C(C)C
• Canonical SMILES: O=C(C1CC(=O)N(C1)C(C)C)N(CCn1ccnc1C)C
• InChI: InChI=1S/C15H24N4O2/c1-11(2)19-10-13(9-14(19)20)15(21)17(4)7-8-18-6-5-16-12(18)3/h5-6,11,13H,7-10H2,1-4H3
• InChIKey: HJIIZLDVMJYZMJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-5-oxo-1-(propan-2-yl)pyrrolidine-3-carboxamide
• IUPAC Traditional name: 1-isopropyl-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
• Synonyms: 1-isopropyl-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-5-oxo-3-pyrrolidinecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.545187
• LogD (pH = 7.4): -0.77484447
• Log P: -0.5334971
• Molar Refractivity: 80.4047 cm^3
• Polarizability: 30.8746 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: -0.68
• LOG S: -2.06
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 5