EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	OF0OT3R0XB
EPA CompTox	DTXSID7060382

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

OF0OT3R0XB

EPA CompTox

DTXSID7060382


InChI Key	SQRTWLGWCOJOTO-UHFFFAOYSA-N
Smiles	CCOc1ccccc1NC(=O)C
InChI	InChI=1S/C10H13NO2/c1-3-13-10-7-5-4-6-9(10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)

InChI Key

SQRTWLGWCOJOTO-UHFFFAOYSA-N

Smiles

CCOc1ccccc1NC(=O)C

InChI

InChI=1S/C10H13NO2/c1-3-13-10-7-5-4-6-9(10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)

Property Name	Value
Molecular Formula	C10H13N1O2
Molecular Weight	179.09
AlogP	2.69
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	41.82
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H13N1O2

Molecular Weight

179.09

AlogP

2.69

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

41.82

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	581-08-8
NORMAN SUSDAT
FDA SRS	OF0OT3R0XB
PubChem	11383
ChemSpider	10905.0

Resources

Reference

CAS NUMBER

581-08-8

NORMAN SUSDAT

FDA SRS

OF0OT3R0XB

PubChem

11383

ChemSpider

10905.0

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-(2-ETHOXYPHENYL)-

Structure

Physicochemical Descriptors

Cross References