EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	EN824LB0NY
EPA CompTox	DTXSID3044964

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

EN824LB0NY

EPA CompTox

DTXSID3044964


InChI Key	ADCBKYIHQQCFHE-UHFFFAOYSA-N
Smiles	O=C(N(c1ccccc1)C)N(c2ccccc2)C
InChI	InChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3

InChI Key

ADCBKYIHQQCFHE-UHFFFAOYSA-N

Smiles

O=C(N(c1ccccc1)C)N(c2ccccc2)C

InChI

InChI=1S/C15H16N2O/c1-16(13-9-5-3-6-10-13)15(18)17(2)14-11-7-4-8-12-14/h3-12H,1-2H3

Property Name	Value
Molecular Formula	C15H16N2O1
Molecular Weight	240.13
AlogP	3.38
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	23.55
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C15H16N2O1

Molecular Weight

240.13

AlogP

3.38

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

2.0

Polar Surface Area

23.55

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	611-92-7
NORMAN SUSDAT
FDA SRS	EN824LB0NY
PubChem	11917
ChemSpider	11423.0

Resources

Reference

CAS NUMBER

611-92-7

NORMAN SUSDAT

FDA SRS

EN824LB0NY

PubChem

11917

ChemSpider

11423.0

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

1,3-DIMETHYL-1,3-DIPHENYLUREA

Structure

Physicochemical Descriptors

Cross References