EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7ZNH638ZG6
EPA CompTox	DTXSID20239774

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7ZNH638ZG6

EPA CompTox

DTXSID20239774


InChI Key	AVOQHFGBRPLGTD-UHFFFAOYSA-N
Smiles	COc1ccc2[nH]c3c(ccc(CCN(C)C(=O)C)c3C)c2c1
InChI	InChI=1S/C19H22N2O2/c1-12-14(9-10-21(3)13(2)22)5-7-16-17-11-15(23-4)6-8-18(17)20-19(12)16/h5-8,11,20H,9-10H2,1-4H3

InChI Key

AVOQHFGBRPLGTD-UHFFFAOYSA-N

Smiles

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

InChI

InChI=1S/C19H22N2O2/c1-12-14(9-10-21(3)13(2)22)5-7-16-17-11-15(23-4)6-8-18(17)20-19(12)16/h5-8,11,20H,9-10H2,1-4H3

Property Name	Value
Molecular Formula	C19H22N2O2
Molecular Weight	310.17
AlogP	3.66
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	45.33
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H22N2O2

Molecular Weight

310.17

AlogP

3.66

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

45.33

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	93841-60-2
NORMAN SUSDAT
FDA SRS	7ZNH638ZG6
PubChem	3022622
ChemSpider	2289079.0

Resources

Reference

CAS NUMBER

93841-60-2

NORMAN SUSDAT

FDA SRS

7ZNH638ZG6

PubChem

3022622

ChemSpider

2289079.0

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-METHYLACETAMIDE

Structure

Physicochemical Descriptors

Cross References