EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	F8V8N7S6HZ
EPA CompTox	DTXSID70240279

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

F8V8N7S6HZ

EPA CompTox

DTXSID70240279


InChI Key	JFISKEILZAUDSN-UHFFFAOYSA-N
Smiles	CCC1(CC)C(=O)NC(=O)N(C2=CCCCC2)C1=O
InChI	InChI=1S/C14H20N2O3/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3,(H,15,17,19)

InChI Key

JFISKEILZAUDSN-UHFFFAOYSA-N

Smiles

CCC1(CC)C(=O)NC(=O)N(C2=CCCCC2)C1=O

InChI

InChI=1S/C14H20N2O3/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10/h8H,3-7,9H2,1-2H3,(H,15,17,19)

Property Name	Value
Molecular Formula	C14H20N2O3
Molecular Weight	264.15
AlogP	3.17
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	69.97
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C14H20N2O3

Molecular Weight

264.15

AlogP

3.17

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

3.0

Polar Surface Area

69.97

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	94022-59-0
NORMAN SUSDAT
FDA SRS	F8V8N7S6HZ
PubChem	3023317
ChemSpider	2289564.0

Resources

Reference

CAS NUMBER

94022-59-0

NORMAN SUSDAT

FDA SRS

F8V8N7S6HZ

PubChem

3023317

ChemSpider

2289564.0

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-(1-CYCLOHEXEN-1-YL)-5,5-DIETHYLBARBITURIC ACID

Structure

Physicochemical Descriptors

Cross References