CAS 1301738-40-8

1H-Pyrrole-1-propanamide, N,N′-[1-[[(6-aminohexyl)amino]carbonyl]-1,5-pentanediyl]bis[2,5-dihydro-2,5-dioxo-, 2,2,2-trifluoroacetate (1:1)

Description:

1H-Pyrrole-1-propanamide, N,N′-[1-[[[6-aminohexyl]amino]carbonyl]-1,5-pentanediyl]bis[2,5-dihydro-2,5-dioxo-, 2,2,2-trifluoroacetate (1:1) is a complex organic compound characterized by its unique structural features, which include a pyrrole ring and multiple functional groups such as amides and trifluoroacetate moieties. The presence of the pyrrole ring suggests potential aromatic properties, while the amide linkages indicate the ability to form hydrogen bonds, which can influence solubility and reactivity. The trifluoroacetate groups contribute to the compound's polarity and may enhance its stability and solubility in polar solvents. This compound may exhibit biological activity due to its amino and carbonyl functionalities, making it of interest in medicinal chemistry and drug design. Its molecular structure suggests potential applications in various fields, including pharmaceuticals and materials science. However, specific properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₂₆H₃₈N₆O₇·C₂HF₃O₂

InChI: InChI=1S/C26H38N6O7.C2HF3O2/c27-14-4-1-2-5-16-29-26(39)19(30-21(34)13-18-32-24(37)10-11-25(32)38)7-3-6-15-28-20(33)12-17-31-22(35)8-9-23(31)36;3-2(4,5)1(6)7/h8-11,19H,1-7,12-18,27H2,(H,28,33)(H,29,39)(H,30,34);(H,6,7)

InChI key: InChIKey=UMGLMHFEBLGXTI-UHFFFAOYSA-N

SMILES: C(CC(NC(C(NCCCCCCN)=O)CCCCNC(CCN1C(=O)C=CC1=O)=O)=O)N2C(=O)C=CC2=O.C(C(O)=O)(F)(F)F

Synonyms:

• 1H-Pyrrole-1-propanamide, N,N′-[1-[[(6-aminohexyl)amino]carbonyl]-1,5-pentanediyl]bis[2,5-dihydro-2,5-dioxo-, 2,2,2-trifluoroacetate (1:1)