EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	J738F32XN5
EPA CompTox	DTXSID60179544

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

J738F32XN5

EPA CompTox

DTXSID60179544


InChI Key	YQOHPRYMRZWLTA-UHFFFAOYSA-N
Smiles	CN(CCO)C(=O)c1c(cccc1)C(=O)c1ccccc1
InChI	InChI=1S/C17H17NO3/c1-18(11-12-19)17(21)15-10-6-5-9-14(15)16(20)13-7-3-2-4-8-13/h2-10,19H,11-12H2,1H3

InChI Key

YQOHPRYMRZWLTA-UHFFFAOYSA-N

Smiles

CN(CCO)C(=O)c1c(cccc1)C(=O)c1ccccc1

InChI

InChI=1S/C17H17NO3/c1-18(11-12-19)17(21)15-10-6-5-9-14(15)16(20)13-7-3-2-4-8-13/h2-10,19H,11-12H2,1H3

Property Name	Value
Molecular Formula	C17H17N1O3
Molecular Weight	283.12
AlogP	1.98
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	57.61
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C17H17N1O3

Molecular Weight

283.12

AlogP

1.98

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

57.61

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	24833-47-4
NORMAN SUSDAT
FDA SRS	J738F32XN5
PubChem	90626
ChemSpider	81826.0

Resources

Reference

CAS NUMBER

24833-47-4

NORMAN SUSDAT

FDA SRS

J738F32XN5

PubChem

90626

ChemSpider

81826.0

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, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

2-BENZOYL-N-(2-HYDROXYETHYL)-N-METHYLBENZAMIDE

Structure

Physicochemical Descriptors

Cross References