EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	8YL4JT0L91
EPA CompTox	DTXSID5057628

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

8YL4JT0L91

EPA CompTox

DTXSID5057628


InChI Key	HZTMGWSBSDLALI-UHFFFAOYSA-N
Smiles	CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1
InChI	InChI=1S/C20H38N4O4/c1-3-5-7-21(19(25)23-11-15-27-16-12-23)9-10-22(8-6-4-2)20(26)24-13-17-28-18-14-24/h3-18H2,1-2H3

InChI Key

HZTMGWSBSDLALI-UHFFFAOYSA-N

Smiles

CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1

InChI

InChI=1S/C20H38N4O4/c1-3-5-7-21(19(25)23-11-15-27-16-12-23)9-10-22(8-6-4-2)20(26)24-13-17-28-18-14-24/h3-18H2,1-2H3

Property Name	Value
Molecular Formula	C20H38N4O4
Molecular Weight	398.29
AlogP	2.1
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	9.0
Polar Surface Area	65.56
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C20H38N4O4

Molecular Weight

398.29

AlogP

2.1

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

9.0

Polar Surface Area

65.56

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	119-48-2
NORMAN SUSDAT
FDA SRS	8YL4JT0L91
PubChem	3091
ChemSpider	2981.0

Resources

Reference

CAS NUMBER

119-48-2

NORMAN SUSDAT

FDA SRS

8YL4JT0L91

PubChem

3091

ChemSpider

2981.0

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

DIMORPHOLAMINE

Structure

Physicochemical Descriptors

Cross References