EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	7WR49YDF74
EPA CompTox	DTXSID30240699

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

7WR49YDF74

EPA CompTox

DTXSID30240699


InChI Key	BMYCTFIMDMGMEA-UHFFFAOYSA-N
Smiles	O=C1CN(CCCCCCCCCCCCN2CC(=O)NC2=O)C(=O)N1
InChI	InChI=1S/C18H30N4O4/c23-15-13-21(17(25)19-15)11-9-7-5-3-1-2-4-6-8-10-12-22-14-16(24)20-18(22)26/h1-14H2,(H,19,23,25)(H,20,24,26)

InChI Key

BMYCTFIMDMGMEA-UHFFFAOYSA-N

Smiles

O=C1CN(CCCCCCCCCCCCN2CC(=O)NC2=O)C(=O)N1

InChI

InChI=1S/C18H30N4O4/c23-15-13-21(17(25)19-15)11-9-7-5-3-1-2-4-6-8-10-12-22-14-16(24)20-18(22)26/h1-14H2,(H,19,23,25)(H,20,24,26)

Property Name	Value
Molecular Formula	C18H30N4O4
Molecular Weight	366.23
AlogP	3.67
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	13.0
Polar Surface Area	105.8
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C18H30N4O4

Molecular Weight

366.23

AlogP

3.67

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

13.0

Polar Surface Area

105.8

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	94134-11-9
NORMAN SUSDAT
FDA SRS	7WR49YDF74
PubChem	44149058
ChemSpider	21166857.0

Resources

Reference

CAS NUMBER

94134-11-9

NORMAN SUSDAT

FDA SRS

7WR49YDF74

PubChem

44149058

ChemSpider

21166857.0

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'-(DODECANE-1,12-DIYL)BISIMIDAZOLIDINE-2,4-DIONE

Structure

Physicochemical Descriptors

Cross References