EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FSR7TUQ7VK
EPA CompTox	DTXSID2027620

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FSR7TUQ7VK

EPA CompTox

DTXSID2027620


InChI Key	SJWQCBCAGCEWCV-UHFFFAOYSA-N
Smiles	COc1c(N)cc(NC(=O)C)cc1
InChI	InChI=1S/C9H12N2O2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,10H2,1-2H3,(H,11,12)

InChI Key

SJWQCBCAGCEWCV-UHFFFAOYSA-N

Smiles

COc1c(N)cc(NC(=O)C)cc1

InChI

InChI=1S/C9H12N2O2/c1-6(12)11-7-3-4-9(13-2)8(10)5-7/h3-5H,10H2,1-2H3,(H,11,12)

Property Name	Value
Molecular Formula	C9H12N2O2
Molecular Weight	180.09
AlogP	1.89
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	2.0
Polar Surface Area	67.84
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C9H12N2O2

Molecular Weight

180.09

AlogP

1.89

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

2.0

Polar Surface Area

67.84

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	6375-47-9
NORMAN SUSDAT
FDA SRS	FSR7TUQ7VK
PubChem	80779
ChemSpider	72933.0

Resources

Reference

CAS NUMBER

6375-47-9

NORMAN SUSDAT

FDA SRS

FSR7TUQ7VK

PubChem

80779

ChemSpider

72933.0

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-(3-AMINO-4-METHOXYPHENYL)ACETAMIDE

Structure

Physicochemical Descriptors

Cross References