EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	UP83PAJ43J
EPA CompTox	DTXSID10213240

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

UP83PAJ43J

EPA CompTox

DTXSID10213240


InChI Key	UJQLDFMZDSDZEY-UHFFFAOYSA-N
Smiles	CC(=O)NC(=O)NC(=O)C
InChI	InChI=1S/C5H8N2O3/c1-3(8)6-5(10)7-4(2)9/h1-2H3,(H2,6,7,8,9,10)

InChI Key

UJQLDFMZDSDZEY-UHFFFAOYSA-N

Smiles

CC(=O)NC(=O)NC(=O)C

InChI

InChI=1S/C5H8N2O3/c1-3(8)6-5(10)7-4(2)9/h1-2H3,(H2,6,7,8,9,10)

Property Name	Value
Molecular Formula	C5H8N2O3
Molecular Weight	144.05
AlogP	1.06
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Polar Surface Area	82.25
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C5H8N2O3

Molecular Weight

144.05

AlogP

1.06

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Polar Surface Area

82.25

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	638-20-0
NORMAN SUSDAT
FDA SRS	UP83PAJ43J
PubChem	69487
ChemSpider	62693.0

Resources

Reference

CAS NUMBER

638-20-0

NORMAN SUSDAT

FDA SRS

UP83PAJ43J

PubChem

69487

ChemSpider

62693.0

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,N'-CARBONYLBIS(ACETAMIDE)

Structure

Physicochemical Descriptors

Cross References