EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	96YJ5VM9MD
EPA CompTox	DTXSID60239773

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

96YJ5VM9MD

EPA CompTox

DTXSID60239773


InChI Key	IIJIFXSCYADHHB-UHFFFAOYSA-N
Smiles	COc1ccc2[nH]c3c(ccc(CCN(Cc4ccccc4)C(=O)C)c3C)c2c1
InChI	InChI=1S/C25H26N2O2/c1-17-20(13-14-27(18(2)28)16-19-7-5-4-6-8-19)9-11-22-23-15-21(29-3)10-12-24(23)26-25(17)22/h4-12,15,26H,13-14,16H2,1-3H3

InChI Key

IIJIFXSCYADHHB-UHFFFAOYSA-N

Smiles

COc1ccc2[nH]c3c(ccc(CCN(Cc4ccccc4)C(=O)C)c3C)c2c1

InChI

InChI=1S/C25H26N2O2/c1-17-20(13-14-27(18(2)28)16-19-7-5-4-6-8-19)9-11-22-23-15-21(29-3)10-12-24(23)26-25(17)22/h4-12,15,26H,13-14,16H2,1-3H3

Property Name	Value
Molecular Formula	C25H26N2O2
Molecular Weight	386.2
AlogP	5.23
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	45.33
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C25H26N2O2

Molecular Weight

386.2

AlogP

5.23

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

45.33

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	93841-55-5
NORMAN SUSDAT
FDA SRS	96YJ5VM9MD
PubChem	3022621
ChemSpider	2289078.0

Resources

Reference

CAS NUMBER

93841-55-5

NORMAN SUSDAT

FDA SRS

96YJ5VM9MD

PubChem

3022621

ChemSpider

2289078.0

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-(2-(6-METHOXY-1-METHYL-9H-CARBAZOL-2-YL)ETHYL)-N-(PHENYLMETHYL)ACETAMIDE

Structure

Physicochemical Descriptors

Cross References