structure of (E)-N-(2-hydroxy-1,1-dimethyl-ethyl)-3-(3-nitrophenyl)acrylamide

(E)-N-(2-hydroxy-1,1-dimethyl-ethyl)-3-(3-nitrophenyl)acrylamide

CAS No.: 100098-62-2
M. Wt: 264.27700
M. Fa: C13H16N2O4
InChI Key: -

Names and Identifiers of 100098-62-2

CAS Number

100098-62-2

IUPAC Name

(E)-N-(2-methyl-1-oxidanyl-propan-2-yl)-3-(3-nitrophenyl)prop-2-enamide

Canonical SMILES

CC(C)(CO)NC(=O)/C=C/C1=CC(=CC=C1)[N+](=O)[O-]

Physical and chemical properties of 100098-62-2

Exact Mass

264.11100

LogP

2.40920

Molecular Formula

C13H16N2O4

Molecular Weight

264.27700

PSA

95.15000

Applications of 100098-62-2

N-(2-hydroxy-1,1-dimethylethyl)-3-(3-nitrophenyl)acrylamide has several applications across various fields:

  • Pharmaceuticals: It may serve as a lead compound for drug development targeting cancer or microbial infections.
  • Material Science: Its polymerizable nature allows it to be used in creating hydrogels or coatings with specific properties.
  • Biotechnology: It can be utilized in the design of biosensors or as a reagent in biochemical assays.

Interaction Studies of 100098-62-2

Interaction studies involving N-(2-hydroxy-1,1-dimethylethyl)-3-(3-nitrophenyl)acrylamide focus on its binding affinity to various biological targets. These studies often employ techniques such as:

  • Molecular docking simulations: To predict how well the compound binds to specific proteins or enzymes.
  • In vitro assays: To assess its biological activity against cell lines or microbial cultures.
  • Spectroscopic methods: To analyze interaction dynamics between the compound and biomolecules.

Such studies are crucial for understanding its mechanism of action and potential therapeutic uses.

Biological Activity of 100098-62-2

N-(2-hydroxy-1,1-dimethylethyl)-3-(3-nitrophenyl)acrylamide exhibits notable biological activities. Compounds with similar structures are often investigated for their potential as:

  • Anticancer agents: The nitrophenyl group may enhance the compound's ability to interact with biological targets involved in cancer progression.
  • Antimicrobial properties: Some studies suggest that derivatives of acrylamides can exhibit antibacterial and antifungal activities.
  • Enzyme inhibitors: The structural features may allow the compound to inhibit specific enzymes, which could be beneficial in therapeutic contexts.

Retrosynthesis analysis of 100098-62-2

  • Route#1

    Cas:124-68-5
    Cas:100098-62-2