N-Butylbenzamide

Details

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Internal ID 23e7eb3c-b1bf-4992-89ae-ef825cc15077
Taxonomy Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Benzamides
IUPAC Name N-butylbenzamide
SMILES (Canonical) CCCCNC(=O)C1=CC=CC=C1
SMILES (Isomeric) CCCCNC(=O)C1=CC=CC=C1
InChI InChI=1S/C11H15NO/c1-2-3-9-12-11(13)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,12,13)
InChI Key BAULSHLTGVOYKM-UHFFFAOYSA-N
Popularity 36 references in papers

Physical and Chemical Properties

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Molecular Formula C11H15NO
Molecular Weight 177.24 g/mol
Exact Mass 177.115364102 g/mol
Topological Polar Surface Area (TPSA) 29.10 Ų
XlogP 2.10

Synonyms

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2782-40-3
Benzamide, N-butyl-
Butylbenzamide
N-n-Butylbenzamide
EINECS 220-485-4
NSC 26916
BRN 2045962
AI3-00818
N-butyl-benzamide
NSC26916
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-Butylbenzamide

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 97.92% 98.95%
CHEMBL221 P23219 Cyclooxygenase-1 96.41% 90.17%
CHEMBL1293294 P51151 Ras-related protein Rab-9A 95.92% 87.67%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.09% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.74% 96.09%
CHEMBL1293277 O15118 Niemann-Pick C1 protein 87.44% 81.11%
CHEMBL5701 Q9H2K8 Serine/threonine-protein kinase TAO3 87.24% 96.67%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 86.40% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.86% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 84.68% 94.73%
CHEMBL5261 Q7L7X3 Serine/threonine-protein kinase TAO1 82.52% 89.33%
CHEMBL4227 P25090 Lipoxin A4 receptor 80.13% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.11% 86.33%
CHEMBL5028 O14672 ADAM10 80.00% 97.50%

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.
Rhaphidophora decursiva

Cross-Links

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PubChem 76024
LOTUS LTS0000649
wikiData Q83052799