EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	I720DIF1VX
EPA CompTox	DTXSID10145451

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

I720DIF1VX

EPA CompTox

DTXSID10145451


InChI Key	UQVKNKXDSWRQJE-UHFFFAOYSA-N
Smiles	CC(=O)Nc1cc(NC(=O)C)ccc1
InChI	InChI=1S/C10H12N2O2/c1-7(13)11-9-4-3-5-10(6-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)

InChI Key

UQVKNKXDSWRQJE-UHFFFAOYSA-N

Smiles

CC(=O)Nc1cc(NC(=O)C)ccc1

InChI

InChI=1S/C10H12N2O2/c1-7(13)11-9-4-3-5-10(6-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)

Property Name	Value
Molecular Formula	C10H12N2O2
Molecular Weight	192.09
AlogP	2.9
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	65.18
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C10H12N2O2

Molecular Weight

192.09

AlogP

2.9

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

65.18

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	10268-78-7
NORMAN SUSDAT
FDA SRS	I720DIF1VX
PubChem	82506
ChemSpider	74459.0

Resources

Reference

CAS NUMBER

10268-78-7

NORMAN SUSDAT

FDA SRS

I720DIF1VX

PubChem

82506

ChemSpider

74459.0

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,N'-M-PHENYLENEBIS- (6CI,7CI,8CI)

Structure

Physicochemical Descriptors

Cross References