EcoDrugPlus


Synonyms	N-Acetyl-Acetamide
Molecule Category	Free-form
UNII	M3GE4E3PRK
EPA CompTox	DTXSID10211549
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

N-Acetyl-Acetamide

Molecule Category

Free-form

UNII

M3GE4E3PRK

EPA CompTox

DTXSID10211549

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	ZSBDPRIWBYHIAF-UHFFFAOYSA-N
Smiles	CC(=O)NC(=O)C
InChI	InChI=1S/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7)

InChI Key

ZSBDPRIWBYHIAF-UHFFFAOYSA-N

Smiles

CC(=O)NC(=O)C

InChI

InChI=1S/C4H7NO2/c1-3(6)5-4(2)7/h1-2H3,(H,5,6,7)

Property Name	Value
Molecular Formula	C4H7NO2
Molecular Weight	101.1
AlogP	-0.84
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Polar Surface Area	46.17
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C4H7NO2

Molecular Weight

101.1

AlogP

-0.84

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Polar Surface Area

46.17

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	625-77-4
ChEMBL	CHEMBL18986
FDA SRS	M3GE4E3PRK
PubChem	12263
SureChEMBL	SCHEMBL97089
ZINC	ZINC05132336

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

SureChEMBL

ZINC

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, 23^rd March 2026

DIACETAMIDE

Structure

Physicochemical Descriptors

Cross References