EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID30233849

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID30233849


InChI Key	JSSZMWBPDFEYBN-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCC(=O)N(C)CCCl
InChI	InChI=1S/C15H30ClNO/c1-3-4-5-6-7-8-9-10-11-12-15(18)17(2)14-13-16/h3-14H2,1-2H3

InChI Key

JSSZMWBPDFEYBN-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(=O)N(C)CCCl

InChI

InChI=1S/C15H30ClNO/c1-3-4-5-6-7-8-9-10-11-12-15(18)17(2)14-13-16/h3-14H2,1-2H3

Property Name	Value
Molecular Formula	C15H30Cl1N1O1
Molecular Weight	275.2
AlogP	4.6
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	12.0
Polar Surface Area	20.31
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C15H30Cl1N1O1

Molecular Weight

275.2

AlogP

4.6

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

12.0

Polar Surface Area

20.31

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	84803-68-9
NORMAN SUSDAT
PubChem	3020139
ChemSpider	2287118.0

Resources

Reference

CAS NUMBER

84803-68-9

NORMAN SUSDAT

PubChem

3020139

ChemSpider

2287118.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

N-(2-CHLOROETHYL)-N-METHYLDODECANAMIDE

Structure

Physicochemical Descriptors

Cross References