N-benzylstearamide

Details

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Internal ID 9e051b4a-3e45-493c-b3b9-0d0eabb5eeb9
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty amides > N-acyl amines
IUPAC Name N-benzyloctadecanamide
SMILES (Canonical) CCCCCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1
SMILES (Isomeric) CCCCCCCCCCCCCCCCCC(=O)NCC1=CC=CC=C1
InChI InChI=1S/C25H43NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)26-23-24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3,(H,26,27)
InChI Key IXODJGLAVBPVSW-UHFFFAOYSA-N
Popularity 11 references in papers

Physical and Chemical Properties

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Molecular Formula C25H43NO
Molecular Weight 373.60 g/mol
Exact Mass 373.334464995 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 9.40

Synonyms

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N-benzylstearamide
5327-45-7
NSC 3333
Octadecanamide, N-(phenylmethyl)-
N-octadecanoyl benzylamine
CHEMBL2415104
NSC3333
Stearamide, N-benzyl-
Octadecanamide, N-benzyl-
N-(Phenylmethyl)octadecanamide
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-benzylstearamide

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 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

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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.
Lepidium meyenii

Cross-Links

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PubChem 220495
LOTUS LTS0156099
wikiData Q82008953