EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	E25TY46YTD
EPA CompTox	DTXSID20191101

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

E25TY46YTD

EPA CompTox

DTXSID20191101


InChI Key	HQWLBRJUMWPIOA-WCSIJFPASA-N
Smiles	CCCCCCCCCCC(CCCCCCCC)COC(=O)C1CCC(=O)N1
InChI	InChI=1S/C25H47NO3/c1-3-5-7-9-11-12-14-16-18-22(17-15-13-10-8-6-4-2)21-29-25(28)23-19-20-24(27)26-23/h22-23H,3-21H2,1-2H3,(H,26,27)/t22-,23-/m0/s1

InChI Key

HQWLBRJUMWPIOA-WCSIJFPASA-N

Smiles

CCCCCCCCCCC(CCCCCCCC)COC(=O)C1CCC(=O)N1

InChI

InChI=1S/C25H47NO3/c1-3-5-7-9-11-12-14-16-18-22(17-15-13-10-8-6-4-2)21-29-25(28)23-19-20-24(27)26-23/h22-23H,3-21H2,1-2H3,(H,26,27)/t22-,23-/m0/s1

Property Name	Value
Molecular Formula	C25H47N1O3
Molecular Weight	409.36
AlogP	7.55
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	19.0
Polar Surface Area	58.89
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C25H47N1O3

Molecular Weight

409.36

AlogP

7.55

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

19.0

Polar Surface Area

58.89

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	37673-37-3
NORMAN SUSDAT
FDA SRS	E25TY46YTD
PubChem	18654320
ChemSpider	18755158.0

Resources

Reference

CAS NUMBER

37673-37-3

NORMAN SUSDAT

FDA SRS

E25TY46YTD

PubChem

18654320

ChemSpider

18755158.0

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

2-OCTYLDODECYL 5-OXO-L-PROLINATE

Structure

Physicochemical Descriptors

Cross References