EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FL89F5WQ9W
EPA CompTox	DTXSID20211292

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FL89F5WQ9W

EPA CompTox

DTXSID20211292


InChI Key	FTZSDHHWPWGCDI-UHFFFAOYSA-N
Smiles	NC(=O)CCCCCCCCCCC(=O)N
InChI	InChI=1S/C12H24N2O2/c13-11(15)9-7-5-3-1-2-4-6-8-10-12(14)16/h1-10H2,(H2,13,15)(H2,14,16)

InChI Key

FTZSDHHWPWGCDI-UHFFFAOYSA-N

Smiles

NC(=O)CCCCCCCCCCC(=O)N

InChI

InChI=1S/C12H24N2O2/c13-11(15)9-7-5-3-1-2-4-6-8-10-12(14)16/h1-10H2,(H2,13,15)(H2,14,16)

Property Name	Value
Molecular Formula	C12H24N2O2
Molecular Weight	228.18
AlogP	3.96
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	11.0
Polar Surface Area	88.16
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C12H24N2O2

Molecular Weight

228.18

AlogP

3.96

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

11.0

Polar Surface Area

88.16

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	6224-99-3
NORMAN SUSDAT
FDA SRS	FL89F5WQ9W
PubChem	80364
ChemSpider	72593.0

Resources

Reference

CAS NUMBER

6224-99-3

NORMAN SUSDAT

FDA SRS

FL89F5WQ9W

PubChem

80364

ChemSpider

72593.0

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

DODECANEDIAMIDE

Structure

Physicochemical Descriptors

Cross References