N-Ethylpropionamide

Details

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Internal ID f73b71c9-6311-4af9-bd57-dd5cd8dd01d4
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Carboxylic acid derivatives > Carboxylic acid amides > Secondary carboxylic acid amides
IUPAC Name N-ethylpropanamide
SMILES (Canonical) CCC(=O)NCC
SMILES (Isomeric) CCC(=O)NCC
InChI InChI=1S/C5H11NO/c1-3-5(7)6-4-2/h3-4H2,1-2H3,(H,6,7)
InChI Key ABMDIECEEGFXNC-UHFFFAOYSA-N
Popularity 29 references in papers

Physical and Chemical Properties

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Molecular Formula C5H11NO
Molecular Weight 101.15 g/mol
Exact Mass 101.084063974 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 0.40

Synonyms

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5129-72-6
N-Ethylpropanamide
Propanamide, N-ethyl-
Propionamide, N-ethyl-
N-Propionylethylamine
N-Ethylpropanamide #
N,N'-diethylformamide
N-ethylpropionic acid amide
SCHEMBL95875
SCHEMBL13662026
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of N-Ethylpropionamide

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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
CHEMBL4040 P28482 MAP kinase ERK2 95.39% 83.82%
CHEMBL2581 P07339 Cathepsin D 88.70% 98.95%
CHEMBL255 P29275 Adenosine A2b receptor 87.78% 98.59%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.36% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 82.44% 90.17%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 82.17% 96.95%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.11% 94.33%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.75% 100.00%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.38% 99.17%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 80.22% 96.67%

Plants that contains it

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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.
Camellia sinensis

Cross-Links

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PubChem 521324
LOTUS LTS0170858
wikiData Q82100496