N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-methoxypropanamide

• ChemBase ID: 521761
• Molecular Formular: C15H26N2O3
• Molecular Mass: 282.37854
• Monoisotopic Mass: 282.1943427
• SMILES: N1(C(=O)CC(C1)NC(=O)CCOC)CC1CCCCC1
• Canonical SMILES: COCCC(=O)NC1CC(=O)N(C1)CC1CCCCC1
• InChI: InChI=1S/C15H26N2O3/c1-20-8-7-14(18)16-13-9-15(19)17(11-13)10-12-5-3-2-4-6-12/h12-13H,2-11H2,1H3,(H,16,18)
• InChIKey: VIYKBAKPOHOPAK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-methoxypropanamide
• IUPAC Traditional name: N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-3-methoxypropanamide
• Synonyms: N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]-3-methoxypropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.71526
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.61420983
• LogD (pH = 7.4): 0.6142099
• Log P: 0.6142099
• Molar Refractivity: 76.3612 cm^3
• Polarizability: 30.03304 Å^3
• Polar Surface Area: 58.64 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: 2.53
• LOG S: -1.7
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5