EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	H8T73U2CVV
EPA CompTox	DTXSID00234560

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

H8T73U2CVV

EPA CompTox

DTXSID00234560


InChI Key	RAIXQSNYRUTLRE-UHFFFAOYSA-N
Smiles	CCCCCCCCN1CC(=O)NC1=O
InChI	InChI=1S/C11H20N2O2/c1-2-3-4-5-6-7-8-13-9-10(14)12-11(13)15/h2-9H2,1H3,(H,12,14,15)

InChI Key

RAIXQSNYRUTLRE-UHFFFAOYSA-N

Smiles

CCCCCCCCN1CC(=O)NC1=O

InChI

InChI=1S/C11H20N2O2/c1-2-3-4-5-6-7-8-13-9-10(14)12-11(13)15/h2-9H2,1H3,(H,12,14,15)

Property Name	Value
Molecular Formula	C11H20N2O2
Molecular Weight	212.15
AlogP	2.74
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	52.9
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H20N2O2

Molecular Weight

212.15

AlogP

2.74

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

52.9

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	85391-26-0
NORMAN SUSDAT
FDA SRS	H8T73U2CVV
PubChem	3020626
ChemSpider	2287466.0

Resources

Reference

CAS NUMBER

85391-26-0

NORMAN SUSDAT

FDA SRS

H8T73U2CVV

PubChem

3020626

ChemSpider

2287466.0

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

1-OCTYLIMIDAZOLIDINE-2,4-DIONE

Structure

Physicochemical Descriptors

Cross References