EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	S4TYE6UMH4
EPA CompTox	DTXSID7068263

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

S4TYE6UMH4

EPA CompTox

DTXSID7068263


InChI Key	HVXYQAREJSKQNE-UHFFFAOYSA-N
Smiles	CC(=O)NC1CC(C)(C)NC(C)(C)C1
InChI	InChI=1S/C11H22N2O/c1-8(14)12-9-6-10(2,3)13-11(4,5)7-9/h9,13H,6-7H2,1-5H3,(H,12,14)

InChI Key

HVXYQAREJSKQNE-UHFFFAOYSA-N

Smiles

CC(=O)NC1CC(C)(C)NC(C)(C)C1

InChI

InChI=1S/C11H22N2O/c1-8(14)12-9-6-10(2,3)13-11(4,5)7-9/h9,13H,6-7H2,1-5H3,(H,12,14)

Property Name	Value
Molecular Formula	C11H22N2O1
Molecular Weight	198.17
AlogP	2.27
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	44.62
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C11H22N2O1

Molecular Weight

198.17

AlogP

2.27

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

1.0

Polar Surface Area

44.62

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	40908-37-0
NORMAN SUSDAT
FDA SRS	S4TYE6UMH4
PubChem	100241
ChemSpider	90591.0

Resources

Reference

CAS NUMBER

40908-37-0

NORMAN SUSDAT

FDA SRS

S4TYE6UMH4

PubChem

100241

ChemSpider

90591.0

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

ACETAMIDE, N-(2,2,6,6-TETRAMETHYL-4-PIPERIDINYL)-

Structure

Physicochemical Descriptors

Cross References