EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	BYZ7YBF227
EPA CompTox	DTXSID2059489

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

BYZ7YBF227

EPA CompTox

DTXSID2059489


InChI Key	QFELUFGHFLYZEZ-UHFFFAOYSA-N
Smiles	CN(C(C)=O)c1ccc(N)cc1
InChI	InChI=1S/C9H12N2O/c1-7(12)11(2)9-5-3-8(10)4-6-9/h3-6H,10H2,1-2H3

InChI Key

QFELUFGHFLYZEZ-UHFFFAOYSA-N

Smiles

CN(C(C)=O)c1ccc(N)cc1

InChI

InChI=1S/C9H12N2O/c1-7(12)11(2)9-5-3-8(10)4-6-9/h3-6H,10H2,1-2H3

Property Name	Value
Molecular Formula	C9H12N2O1
Molecular Weight	164.09
AlogP	1.25
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	46.33
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H12N2O1

Molecular Weight

164.09

AlogP

1.25

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

46.33

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	119-63-1
NORMAN SUSDAT
FDA SRS	BYZ7YBF227
PubChem	67068
ChemSpider	60419.0

Resources

Reference

CAS NUMBER

119-63-1

NORMAN SUSDAT

FDA SRS

BYZ7YBF227

PubChem

67068

ChemSpider

60419.0

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-(4-AMINOPHENYL)-N-METHYL-

Structure

Physicochemical Descriptors

Cross References