EcoDrugPlus


Synonyms	DEET Deet Deet n,n-diethyl-meta-toluamide Diethyl toluamide Diethyltoluamide Diethyltoluamidum ENT-20218 ENT-22542 N,n-diethyl 3-methyl benzamide NSC-33840 Oristar deet
Status
Molecule Category	Free-form
ATC	P03BX01
UNII	FB0C1XZV4Y
EPA CompTox	DTXSID2021995


InChI Key	MMOXZBCLCQITDF-UHFFFAOYSA-N
Smiles	CCN(CC)C(=O)c1cccc(C)c1
InChI	InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3

Property Name	Value
Molecular Formula	C12H17NO
Molecular Weight	191.27
AlogP	2.48
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	20.31
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	14.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	107.17-108.67

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	107.17-108.67

Resources	Reference
ChEBI	7071
ChEMBL	CHEMBL1453317
DrugBank	DB11282
DrugCentral	4418
FDA SRS	FB0C1XZV4Y
KEGG	C10935
PDB	DE3
PubChem	4284
SureChEMBL	SCHEMBL29976
ZINC	ZINC000000001291

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DIETHYLTOLUAMIDE

Structure

Physicochemical Descriptors

Pharmacology

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