EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	88FDH93SD6
EPA CompTox	DTXSID60167789

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

88FDH93SD6

EPA CompTox

DTXSID60167789


InChI Key	VSURRQZMKWVYIC-UHFFFAOYSA-N
Smiles	CCN(C(=O)c1ccccc1)c1ccccc1
InChI	InChI=1S/C15H15NO/c1-2-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,2H2,1H3

InChI Key

VSURRQZMKWVYIC-UHFFFAOYSA-N

Smiles

CCN(C(=O)c1ccccc1)c1ccccc1

InChI

InChI=1S/C15H15NO/c1-2-16(14-11-7-4-8-12-14)15(17)13-9-5-3-6-10-13/h3-12H,2H2,1H3

Property Name	Value
Molecular Formula	C15H15N1O1
Molecular Weight	225.12
AlogP	3.35
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	20.31
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C15H15N1O1

Molecular Weight

225.12

AlogP

3.35

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

20.31

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	16466-44-7
NORMAN SUSDAT
FDA SRS	88FDH93SD6
PubChem	85430
ChemSpider	77044.0

Resources

Reference

CAS NUMBER

16466-44-7

NORMAN SUSDAT

FDA SRS

88FDH93SD6

PubChem

85430

ChemSpider

77044.0

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-ETHYLBENZANILIDE

Structure

Physicochemical Descriptors

Cross References