CAS 1338494-67-9

1,1-Dimethylethyl N-[2-[5-(benzoylamino)-1H-1,2,4-triazol-3-yl]ethyl]carbamate

Description:

1,1-Dimethylethyl N-[2-[5-(benzoylamino)-1H-1,2,4-triazol-3-yl]ethyl]carbamate, identified by its CAS number 1338494-67-9, is a chemical compound that features a complex structure incorporating a triazole ring and a carbamate functional group. This substance is characterized by its potential biological activity, often explored in the context of agricultural chemistry or pharmaceuticals. The presence of the benzoylamino group suggests it may exhibit specific interactions with biological targets, potentially influencing its efficacy as a pesticide or therapeutic agent. The dimethyl group contributes to its steric properties, which can affect solubility and permeability. Additionally, the compound's stability and reactivity are influenced by the functional groups present, making it a subject of interest in synthetic and medicinal chemistry. Overall, its unique structural features may confer specific properties that are valuable in various applications, including crop protection and drug development.

Formula: C₁₆H₂₁N₅O₃

InChI: InChI=1S/C16H21N5O3/c1-16(2,3)24-15(23)17-10-9-12-18-14(21-20-12)19-13(22)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,17,23)(H2,18,19,20,21,22)

InChI key: InChIKey=DVIBQAUMRXIHGP-UHFFFAOYSA-N

SMILES: N(C(=O)C1=CC=CC=C1)C=2NC(CCNC(OC(C)(C)C)=O)=NN2

Synonyms:

• tert-Butyl {2-[3-(benzoylamino)-1H-1,2,4-triazol-5-yl]ethyl}carbamate
• 1,1-Dimethylethyl N-[2-[5-(benzoylamino)-1H-1,2,4-triazol-3-yl]ethyl]carbamate
• tert-Butyl N-{2-[3-(benzoylamino)-1H-1,2,4-triazol-5-yl]ethyl}carbamate
• Carbamic acid, N-[2-[5-(benzoylamino)-1H-1,2,4-triazol-3-yl]ethyl]-, 1,1-dimethylethyl ester