EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	767M03K32Y
EPA CompTox	DTXSID7022172

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

767M03K32Y

EPA CompTox

DTXSID7022172


InChI Key	IMIDOCRTMDIQIJ-UHFFFAOYSA-N
Smiles	CNC(=O)Oc1ccc(N(C)C)c(C)c1
InChI	InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)

InChI Key

IMIDOCRTMDIQIJ-UHFFFAOYSA-N

Smiles

CNC(=O)Oc1ccc(N(C)C)c(C)c1

InChI

InChI=1S/C11H16N2O2/c1-8-7-9(15-11(14)12-2)5-6-10(8)13(3)4/h5-7H,1-4H3,(H,12,14)

Property Name	Value
Molecular Formula	C11H16N2O2
Molecular Weight	208.12
AlogP	1.98
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	45.06
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H16N2O2

Molecular Weight

208.12

AlogP

1.98

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

45.06

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	2032-59-9
NORMAN SUSDAT
FDA SRS	767M03K32Y
PubChem	16247
ChemSpider	15416.0

Resources

Reference

CAS NUMBER

2032-59-9

NORMAN SUSDAT

FDA SRS

767M03K32Y

PubChem

16247

ChemSpider

15416.0

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

AMINOCARB

Structure

Physicochemical Descriptors

Cross References