EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID50225963

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID50225963


InChI Key	OQYMCCVEJUOMCX-UHFFFAOYSA-N
Smiles	CCCCCCCCCCN1CCOCCOCCOCCOCC1
InChI	InChI=1S/C20H41NO4/c1-2-3-4-5-6-7-8-9-10-21-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h2-20H2,1H3

InChI Key

OQYMCCVEJUOMCX-UHFFFAOYSA-N

Smiles

CCCCCCCCCCN1CCOCCOCCOCCOCC1

InChI

InChI=1S/C20H41NO4/c1-2-3-4-5-6-7-8-9-10-21-11-13-22-15-17-24-19-20-25-18-16-23-14-12-21/h2-20H2,1H3

Property Name	Value
Molecular Formula	C20H41N1O4
Molecular Weight	359.3
AlogP	3.51
Hydrogen Bond Acceptor	5.0
Number of Rotational Bond	9.0
Polar Surface Area	40.16
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C20H41N1O4

Molecular Weight

359.3

AlogP

3.51

Hydrogen Bond Acceptor

5.0

Number of Rotational Bond

9.0

Polar Surface Area

40.16

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	75006-55-2
NORMAN SUSDAT
PubChem	44149778
ChemSpider	21163058.0

Resources

Reference

CAS NUMBER

75006-55-2

NORMAN SUSDAT

PubChem

44149778

ChemSpider

21163058.0

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, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

13-DECYL-1,4,7,10-TETRAOXA-13-AZACYCLOPENTADECANE

Structure

Physicochemical Descriptors

Cross References