EcoDrugPlus


Synonyms	Hexadecanoic Acid Diethylamide
Molecule Category	Free-form
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

Hexadecanoic Acid Diethylamide

Molecule Category

Free-form

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	MEBZVMXZXFKHJS-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCC(=O)N(CC)CC
InChI	InChI=1S/C20H41NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(5-2)6-3/h4-19H2,1-3H3

InChI Key

MEBZVMXZXFKHJS-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)N(CC)CC

InChI

InChI=1S/C20H41NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21(5-2)6-3/h4-19H2,1-3H3

Property Name	Value
Molecular Formula	C20H41NO
Molecular Weight	311.55
AlogP	6.87
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	16.0
Polar Surface Area	20.31
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C20H41NO

Molecular Weight

311.55

AlogP

6.87

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

16.0

Polar Surface Area

20.31

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

22.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Mus musculus	-	-	-	-	17.34

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Mus musculus

17.34

Resources	Reference
ChEMBL	CHEMBL33777
PubChem	93626
SureChEMBL	SCHEMBL782473

Resources

Reference

ChEMBL

CHEMBL33777

PubChem

93626

SureChEMBL

SCHEMBL782473

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...

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Last update: Monday, 3 November 2025

HEXADECANOIC ACID DIETHYLAMIDE

Structure

Physicochemical Descriptors

Pharmacology

Cross References