CAS 1001413-19-9

1,1-Dimethylethyl N-[4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]phenyl]carbamate

Description:

1,1-Dimethylethyl N-[4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]phenyl]carbamate, with CAS number 1001413-19-9, is a chemical compound that belongs to the class of carbamates. This substance features a complex molecular structure characterized by the presence of a dimethylethyl group, which contributes to its steric bulk and hydrophobic properties. The compound contains an amino group linked to an ethoxy group, indicating potential for hydrogen bonding and reactivity. Its phenyl ring suggests aromatic characteristics, which may influence its stability and interaction with other molecules. The presence of the carbamate functional group indicates potential applications in medicinal chemistry, particularly in drug design, due to its ability to form hydrogen bonds and interact with biological targets. Additionally, the compound's unique structure may impart specific solubility and permeability characteristics, making it of interest in pharmaceutical formulations. Overall, this compound's intricate structure and functional groups suggest diverse potential applications in various fields, including agriculture and pharmaceuticals.

Formula: C₁₈H₂₈N₂O₅

InChI: InChI=1S/C18H28N2O5/c1-17(2,3)24-15(21)19-11-12-23-14-9-7-13(8-10-14)20-16(22)25-18(4,5)6/h7-10H,11-12H2,1-6H3,(H,19,21)(H,20,22)

InChI key: InChIKey=LZGRDUVBWREGMU-UHFFFAOYSA-N

SMILES: N(C(OC(C)(C)C)=O)C1=CC=C(OCCNC(OC(C)(C)C)=O)C=C1

Synonyms:

• 1,1-Dimethylethyl N-[4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]phenyl]carbamate
• Carbamic acid, N-[4-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]phenyl]-, 1,1-dimethylethyl ester