N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide

• ChemBase ID: 775279
• Molecular Formular: C14H24N2O3
• Molecular Mass: 268.35196
• Monoisotopic Mass: 268.17869264
• SMILES: N1(C(=O)CC(C1)NC(=O)COC)CC1CCCCC1
• Canonical SMILES: COCC(=O)NC1CN(C(=O)C1)CC1CCCCC1
• InChI: InChI=1S/C14H24N2O3/c1-19-10-13(17)15-12-7-14(18)16(9-12)8-11-5-3-2-4-6-11/h11-12H,2-10H2,1H3,(H,15,17)
• InChIKey: RVJVTYKLYKKMJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
• IUPAC Traditional name: N-[1-(cyclohexylmethyl)-5-oxopyrrolidin-3-yl]-2-methoxyacetamide
• Synonyms: N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]-2-methoxyacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.107175
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3771971
• LogD (pH = 7.4): 0.3771971
• Log P: 0.37719715
• Molar Refractivity: 71.6618 cm^3
• Polarizability: 28.19876 Å^3
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.27
• LOG S: -1.12
• Polar Surface Area: 58.64 Å^2
• Rotatable Bonds: 4