N-Benzylpentadecanamide

Details

Top
Internal ID 8f3ff001-92ce-40cb-9ded-b6ece0103cd2
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name N-benzylpentadecanamide
SMILES (Canonical) CCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1
SMILES (Isomeric) CCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1
InChI InChI=1S/C22H37NO/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)23-20-21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3,(H,23,24)
InChI Key CBYQHFBHSMAGBU-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

Top
Molecular Formula C22H37NO
Molecular Weight 331.50 g/mol
Exact Mass 331.287514804 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 7.80

Synonyms

Top
1572037-13-8
AKOS040763784

2D Structure

Top
2D Structure of N-Benzylpentadecanamide

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 99.25% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 96.95% 90.17%
CHEMBL3060 Q9Y345 Glycine transporter 2 96.35% 99.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 95.45% 92.08%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.66% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.86% 91.11%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 90.66% 97.29%
CHEMBL3401 O75469 Pregnane X receptor 87.91% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 87.79% 95.56%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.09% 95.50%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 86.07% 96.67%
CHEMBL3902 P09211 Glutathione S-transferase Pi 86.04% 93.81%
CHEMBL1781 P11387 DNA topoisomerase I 84.68% 97.00%
CHEMBL230 P35354 Cyclooxygenase-2 81.32% 89.63%
CHEMBL2885 P07451 Carbonic anhydrase III 80.08% 87.45%

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.
Lepidium meyenii

Cross-Links

Top
PubChem 102326455
LOTUS LTS0126675
wikiData Q105102190