N-isobutyl-decanamide

Details

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Internal ID b61b1689-1e49-4064-bea0-299de33348df
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name N-(2-methylpropyl)decanamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H29NO/c1-4-5-6-7-8-9-10-11-14(16)15-12-13(2)3/h13H,4-12H2,1-3H3,(H,15,16)
InChI Key JIOJLCAPGHFHDI-UHFFFAOYSA-N
Popularity 26 references in papers

Physical and Chemical Properties

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Molecular Formula C14H29NO
Molecular Weight 227.39 g/mol
Exact Mass 227.224914549 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 4.90

Synonyms

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N-(2-methylpropyl)decanamide
n-isobutyldecanamide
73785-31-6
N-Isobutyl N-decanamide
ME6A5M9U1B
Decanamide, N-(2-methylpropyl)-
N-isobutyl-decanamide
starbld0048742
TETRAHYDROPELLITORINE
UNII-ME6A5M9U1B
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-isobutyl-decanamide

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
CHEMBL2581 P07339 Cathepsin D 97.98% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 97.83% 97.29%
CHEMBL230 P35354 Cyclooxygenase-2 97.63% 89.63%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.11% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.09% 96.09%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 93.43% 85.94%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 91.38% 95.17%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 90.42% 92.86%
CHEMBL2885 P07451 Carbonic anhydrase III 89.56% 87.45%
CHEMBL299 P17252 Protein kinase C alpha 88.89% 98.03%
CHEMBL2996 Q05655 Protein kinase C delta 88.19% 97.79%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 87.70% 100.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 86.62% 97.21%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.31% 93.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 85.16% 90.71%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 85.01% 96.67%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 84.53% 89.33%
CHEMBL3401 O75469 Pregnane X receptor 83.04% 94.73%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 82.91% 92.08%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 82.11% 92.29%
CHEMBL2111367 P27986 PI3-kinase p110-alpha/p85-alpha 81.68% 94.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.60% 99.23%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.22% 96.95%
CHEMBL1293316 Q9HBX9 Relaxin receptor 1 80.57% 82.50%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.27% 91.11%

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.
Cissampelos glaberrima
Piper tuberculatum

Cross-Links

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PubChem 3613503
LOTUS LTS0073455
wikiData Q27893473