EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	0AJ0N90BYY
EPA CompTox	DTXSID5044655

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

0AJ0N90BYY

EPA CompTox

DTXSID5044655


InChI Key	CWNSVVHTTQBGQB-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCC(=O)N(CC)CC
InChI	InChI=1S/C16H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3/h4-15H2,1-3H3

InChI Key

CWNSVVHTTQBGQB-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(=O)N(CC)CC

InChI

InChI=1S/C16H33NO/c1-4-7-8-9-10-11-12-13-14-15-16(18)17(5-2)6-3/h4-15H2,1-3H3

Property Name	Value
Molecular Formula	C16H33N1O1
Molecular Weight	255.26
AlogP	4.78
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

C16H33N1O1

Molecular Weight

255.26

AlogP

4.78

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

12.0

Polar Surface Area

20.31

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	3352-87-2
NORMAN SUSDAT
FDA SRS	0AJ0N90BYY
PubChem	18783
ChemSpider	17736.0

Resources

Reference

CAS NUMBER

3352-87-2

NORMAN SUSDAT

FDA SRS

0AJ0N90BYY

PubChem

18783

ChemSpider

17736.0

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,N-DIETHYLDODECANAMIDE

Structure

Physicochemical Descriptors

Cross References