N,3-dimethyl-N-[(E)-2-phenylethenyl]but-2-enamide

Details

• Internal ID: 1e7d5f81-0257-4b62-9412-39ae5b4398c7
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Styrenes
• IUPAC Name: N,3-dimethyl-N-[(E)-2-phenylethenyl]but-2-enamide
• SMILES (Canonical): CC(=CC(=O)N(C)C=CC1=CC=CC=C1)C
• SMILES (Isomeric): CC(=CC(=O)N(C)/C=C/C1=CC=CC=C1)C
• InChI: InChI=1S/C14H17NO/c1-12(2)11-14(16)15(3)10-9-13-7-5-4-6-8-13/h4-11H,1-3H3/b10-9+
• InChI Key: ZXXVSLVNOUPLEH-MDZDMXLPSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₇NO
• Molecular Weight: 215.29 g/mol
• Exact Mass: 215.131014166 g/mol
• Topological Polar Surface Area (TPSA): 20.30 Ų
• XlogP: 3.20

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2581	P07339	Cathepsin D	93.72%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.03%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	91.37%	96.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.53%	96.09%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	87.86%	94.62%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.48%	86.33%
CHEMBL3401	O75469	Pregnane X receptor	85.13%	94.73%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	82.90%	91.11%
CHEMBL5028	O14672	ADAM10	82.75%	97.50%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.90%	95.50%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.07%	89.00%

Plants that contains it

• Glycosmis crassifolia
• Glycosmis parviflora

Cross-Links

• PubChem: 10751176
• LOTUS: LTS0100978
• wikiData: Q105385901