EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8U99PSD2T9
EPA CompTox	DTXSID70239921

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8U99PSD2T9

EPA CompTox

DTXSID70239921


InChI Key	PEOXEUKZSKKSAI-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN
InChI	InChI=1S/C24H53N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(30)29-23-22-28-21-20-27-19-18-26-17-16-25/h26-28H,2-23,25H2,1H3,(H,29,30)

InChI Key

PEOXEUKZSKKSAI-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN

InChI

InChI=1S/C24H53N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(30)29-23-22-28-21-20-27-19-18-26-17-16-25/h26-28H,2-23,25H2,1H3,(H,29,30)

Property Name	Value
Molecular Formula	C24H53N5O1
Molecular Weight	427.43
AlogP	4.15
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	25.0
Polar Surface Area	94.7
Heavy Atoms	30.0

Property Name

Value

Molecular Formula

C24H53N5O1

Molecular Weight

427.43

AlogP

4.15

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

25.0

Polar Surface Area

94.7

Heavy Atoms

30.0

Resources	Reference
CAS NUMBER	93942-16-6
NORMAN SUSDAT
FDA SRS	8U99PSD2T9
PubChem	3023013
ChemSpider	2289341.0

Resources

Reference

CAS NUMBER

93942-16-6

NORMAN SUSDAT

FDA SRS

8U99PSD2T9

PubChem

3023013

ChemSpider

2289341.0

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-((2-((2-((2-AMINOETHYL)AMINO)ETHYL)AMINO)ETHYL)AMINO)ETHYL)HEXADECAN-1-AMIDE

Structure

Physicochemical Descriptors

Cross References