EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9FTC66QXD5
EPA CompTox	DTXSID9072024

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9FTC66QXD5

EPA CompTox

DTXSID9072024


InChI Key	NBEJBMSIQHPHDT-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCC(=O)NCCCCCCCC
InChI	InChI=1S/C20H41NO/c1-3-5-7-9-11-12-13-14-16-18-20(22)21-19-17-15-10-8-6-4-2/h3-19H2,1-2H3,(H,21,22)

InChI Key

NBEJBMSIQHPHDT-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCC(=O)NCCCCCCCC

InChI

InChI=1S/C20H41NO/c1-3-5-7-9-11-12-13-14-16-18-20(22)21-19-17-15-10-8-6-4-2/h3-19H2,1-2H3,(H,21,22)

Property Name	Value
Molecular Formula	C20H41N1O1
Molecular Weight	311.32
AlogP	7.22
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	17.0
Polar Surface Area	32.59
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C20H41N1O1

Molecular Weight

311.32

AlogP

7.22

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

17.0

Polar Surface Area

32.59

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	69943-69-7
NORMAN SUSDAT
FDA SRS	9FTC66QXD5
PubChem	112353
ChemSpider	100710.0

Resources

Reference

CAS NUMBER

69943-69-7

NORMAN SUSDAT

FDA SRS

9FTC66QXD5

PubChem

112353

ChemSpider

100710.0

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

DODECANAMIDE, N-OCTYL-

Structure

Physicochemical Descriptors

Cross References