N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide

Details

Top
Internal ID 177de3e1-a777-40aa-bb16-dd93c71a7f8b
Taxonomy Benzenoids > Benzene and substituted derivatives > Styrenes
IUPAC Name N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide
SMILES (Canonical) CC(C)CC(=O)N(C)C=CC1=CC=CC=C1
SMILES (Isomeric) CC(C)CC(=O)N(C)/C=C\C1=CC=CC=C1
InChI InChI=1S/C14H19NO/c1-12(2)11-14(16)15(3)10-9-13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3/b10-9-
InChI Key CDLAPNQPBIKXOF-KTKRTIGZSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C14H19NO
Molecular Weight 217.31 g/mol
Exact Mass 217.146664230 g/mol
Topological Polar Surface Area (TPSA) 20.30 Ų
XlogP 3.00

Synonyms

Top
There are no found synonyms.

2D Structure

Top
2D Structure of N,3-dimethyl-N-[(Z)-2-phenylethenyl]butanamide

3D Structure

Top

ADMET Properties (via admetSAR 2)

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

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL2581 P07339 Cathepsin D 96.86% 98.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 94.21% 96.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.06% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.26% 95.56%
CHEMBL221 P23219 Cyclooxygenase-1 90.21% 90.17%
CHEMBL3401 O75469 Pregnane X receptor 88.62% 94.73%
CHEMBL4040 P28482 MAP kinase ERK2 87.92% 83.82%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.79% 93.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.70% 86.33%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.18% 99.17%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 82.56% 100.00%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Glycosmis crassifolia

Cross-Links

Top
PubChem 10703999
LOTUS LTS0068448
wikiData Q104954569