EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	26EXS6JUE8
EPA CompTox	DTXSID60169743

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

26EXS6JUE8

EPA CompTox

DTXSID60169743


InChI Key	VDBXLXRWMYNMHL-UHFFFAOYSA-N
Smiles	NC(=O)CCCCCCCCC(=O)N
InChI	InChI=1S/C10H20N2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2,(H2,11,13)(H2,12,14)

InChI Key

VDBXLXRWMYNMHL-UHFFFAOYSA-N

Smiles

NC(=O)CCCCCCCCC(=O)N

InChI

InChI=1S/C10H20N2O2/c11-9(13)7-5-3-1-2-4-6-8-10(12)14/h1-8H2,(H2,11,13)(H2,12,14)

Property Name	Value
Molecular Formula	C10H20N2O2
Molecular Weight	200.15
AlogP	3.18
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	9.0
Polar Surface Area	88.16
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H20N2O2

Molecular Weight

200.15

AlogP

3.18

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

9.0

Polar Surface Area

88.16

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	1740-54-1
NORMAN SUSDAT
FDA SRS	26EXS6JUE8
PubChem	72882
ChemSpider	65714.0

Resources

Reference

CAS NUMBER

1740-54-1

NORMAN SUSDAT

FDA SRS

26EXS6JUE8

PubChem

72882

ChemSpider

65714.0

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

SEBACAMIDE

Structure

Physicochemical Descriptors

Cross References