EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID60238908

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID60238908


InChI Key	GPSNGXFIOROBMR-UHFFFAOYSA-N
Smiles	CCCCN(CCCC)CNC(=O)C(=C)C
InChI	InChI=1S/C13H26N2O/c1-5-7-9-15(10-8-6-2)11-14-13(16)12(3)4/h3,5-11H2,1-2,4H3,(H,14,16)

InChI Key

GPSNGXFIOROBMR-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)CNC(=O)C(=C)C

InChI

InChI=1S/C13H26N2O/c1-5-7-9-15(10-8-6-2)11-14-13(16)12(3)4/h3,5-11H2,1-2,4H3,(H,14,16)

Property Name	Value
Molecular Formula	C13H26N2O1
Molecular Weight	226.2
AlogP	3.38
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	35.83
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C13H26N2O1

Molecular Weight

226.2

AlogP

3.38

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

9.0

Polar Surface Area

35.83

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	92168-48-4
NORMAN SUSDAT
PubChem	3021949
ChemSpider	2288544.0

Resources

Reference

CAS NUMBER

92168-48-4

NORMAN SUSDAT

PubChem

3021949

ChemSpider

2288544.0

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-((DIBUTYLAMINO)METHYL)METHACRYLAMIDE

Structure

Physicochemical Descriptors

Cross References