EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ZGW443BA5C
EPA CompTox	DTXSID40184651

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ZGW443BA5C

EPA CompTox

DTXSID40184651


InChI Key	DNLPQXRWAKCKPX-UHFFFAOYSA-N
Smiles	NC(=O)c1cc(ccc1O)C(=O)CN(Cc1ccccc1)Cc1ccccc1
InChI	InChI=1S/C23H22N2O3/c24-23(28)20-13-19(11-12-21(20)26)22(27)16-25(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,26H,14-16H2,(H2,24,28)

InChI Key

DNLPQXRWAKCKPX-UHFFFAOYSA-N

Smiles

NC(=O)c1cc(ccc1O)C(=O)CN(Cc1ccccc1)Cc1ccccc1

InChI

InChI=1S/C23H22N2O3/c24-23(28)20-13-19(11-12-21(20)26)22(27)16-25(14-17-7-3-1-4-8-17)15-18-9-5-2-6-10-18/h1-13,26H,14-16H2,(H2,24,28)

Property Name	Value
Molecular Formula	C23H22N2O3
Molecular Weight	374.16
AlogP	4.16
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	84.62
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C23H22N2O3

Molecular Weight

374.16

AlogP

4.16

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

8.0

Polar Surface Area

84.62

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	30566-92-8
NORMAN SUSDAT
FDA SRS	ZGW443BA5C
PubChem	28467336
ChemSpider	108610.0

Resources

Reference

CAS NUMBER

30566-92-8

NORMAN SUSDAT

FDA SRS

ZGW443BA5C

PubChem

28467336

ChemSpider

108610.0

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

5-((BIS(BENZYL)AMINO)ACETYL)SALICYLAMIDE

Structure

Physicochemical Descriptors

Cross References