EcoDrugPlus


Keyword(s):	Food Contact Chemicals ; Plastic additives
Molecule Category	Free-form
UNII	5B6MK9M5C4
EPA CompTox	DTXSID80338252

Keyword(s):

Food Contact Chemicals ; Plastic additives

Molecule Category

Free-form

UNII

5B6MK9M5C4

EPA CompTox

DTXSID80338252


InChI Key	LBHQTVBKPMHICN-UHFFFAOYSA-N
Smiles	CCCCCCCCC=CCCCCCCCCCC(N)=O
InChI	InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H2,21,22)

InChI Key

LBHQTVBKPMHICN-UHFFFAOYSA-N

Smiles

CCCCCCCCC=CCCCCCCCCCC(N)=O

InChI

InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H2,21,22)

Property Name	Value
Molecular Formula	C20H39NO
Molecular Weight	309.3
AlogP	7.34
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	17.0
Polar Surface Area	44.08
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C20H39NO

Molecular Weight

309.3

AlogP

7.34

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

17.0

Polar Surface Area

44.08

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	10436-08-5
NORMAN SUSDAT
FDA SRS	5B6MK9M5C4

Resources

Reference

CAS NUMBER

10436-08-5

NORMAN SUSDAT

FDA SRS

5B6MK9M5C4

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

CIS-11-EICOSENAMIDE

Structure

Physicochemical Descriptors

Cross References