EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7KUE3239HX
EPA CompTox	DTXSID4067983

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7KUE3239HX

EPA CompTox

DTXSID4067983


InChI Key	ACOZWFISMVUEHN-UHFFFAOYSA-N
Smiles	CCOc1ccc(NC(=O)N(C)C)cc1
InChI	InChI=1S/C11H16N2O2/c1-4-15-10-7-5-9(6-8-10)12-11(14)13(2)3/h5-8H,4H2,1-3H3,(H,12,14)

InChI Key

ACOZWFISMVUEHN-UHFFFAOYSA-N

Smiles

CCOc1ccc(NC(=O)N(C)C)cc1

InChI

InChI=1S/C11H16N2O2/c1-4-15-10-7-5-9(6-8-10)12-11(14)13(2)3/h5-8H,4H2,1-3H3,(H,12,14)

Property Name	Value
Molecular Formula	C11H16N2O2
Molecular Weight	208.12
AlogP	2.18
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	41.57
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C11H16N2O2

Molecular Weight

208.12

AlogP

2.18

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

41.57

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	36503-55-6
NORMAN SUSDAT
FDA SRS	7KUE3239HX
PubChem	118991
ChemSpider	106327.0

Resources

Reference

CAS NUMBER

36503-55-6

NORMAN SUSDAT

FDA SRS

7KUE3239HX

PubChem

118991

ChemSpider

106327.0

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...

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Last update: Monday, 3 November 2025

UREA, N'-(4-ETHOXYPHENYL)-N,N-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References