EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	T9IK8R929N
EPA CompTox	DTXSID70236576

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

T9IK8R929N

EPA CompTox

DTXSID70236576


InChI Key	GTOFNQJLEKUFQP-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCC(=O)NCCNCCNCCN
InChI	InChI=1S/C20H44N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(25)24-19-18-23-17-16-22-15-14-21/h22-23H,2-19,21H2,1H3,(H,24,25)

InChI Key

GTOFNQJLEKUFQP-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCC(=O)NCCNCCNCCN

InChI

InChI=1S/C20H44N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(25)24-19-18-23-17-16-22-15-14-21/h22-23H,2-19,21H2,1H3,(H,24,25)

Property Name	Value
Molecular Formula	C20H44N4O1
Molecular Weight	356.35
AlogP	3.78
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	20.0
Polar Surface Area	82.67
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C20H44N4O1

Molecular Weight

356.35

AlogP

3.78

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

20.0

Polar Surface Area

82.67

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	87706-76-1
NORMAN SUSDAT
FDA SRS	T9IK8R929N
PubChem	3021155
ChemSpider	2287845.0

Resources

Reference

CAS NUMBER

87706-76-1

NORMAN SUSDAT

FDA SRS

T9IK8R929N

PubChem

3021155

ChemSpider

2287845.0

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-AMINOETHYL)AMINO)ETHYL)AMINO)ETHYL)MYRISTAMIDE

Structure

Physicochemical Descriptors

Cross References