N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzamide

Details

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Internal ID 46150470-8ec0-4fa7-872c-e25876ea10b4
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzylethers
IUPAC Name N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzamide
SMILES (Canonical) COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)OC
SMILES (Isomeric) COC1=CC=C(C=C1)C(CNC(=O)C2=CC=CC=C2)OC
InChI InChI=1S/C17H19NO3/c1-20-15-10-8-13(9-11-15)16(21-2)12-18-17(19)14-6-4-3-5-7-14/h3-11,16H,12H2,1-2H3,(H,18,19)
InChI Key GASAZUPHPROROJ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C17H19NO3
Molecular Weight 285.34 g/mol
Exact Mass 285.13649347 g/mol
Topological Polar Surface Area (TPSA) 47.60 Ų
XlogP 2.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of N-[2-methoxy-2-(4-methoxyphenyl)ethyl]benzamide

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
CHEMBL1293294 P51151 Ras-related protein Rab-9A 96.99% 87.67%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.91% 96.09%
CHEMBL221 P23219 Cyclooxygenase-1 95.55% 90.17%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 94.97% 81.11%
CHEMBL4208 P20618 Proteasome component C5 92.85% 90.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.07% 95.56%
CHEMBL2581 P07339 Cathepsin D 90.13% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.04% 99.17%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 88.81% 96.67%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 87.89% 89.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.87% 91.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.08% 96.00%
CHEMBL2535 P11166 Glucose transporter 86.65% 98.75%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.04% 85.14%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 85.01% 91.07%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 81.85% 100.00%
CHEMBL3902 P09211 Glutathione S-transferase Pi 80.56% 93.81%

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.
Zanthoxylum ailanthoides

Cross-Links

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PubChem 78413246
LOTUS LTS0209356
wikiData Q105005604