EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	22TJ09HM80
EPA CompTox	DTXSID6058899

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

22TJ09HM80

EPA CompTox

DTXSID6058899


InChI Key	OPTBBAGXQYOFTL-UHFFFAOYSA-N
Smiles	CCN(CC)C(=O)c1c(cccc1)C(=O)N(CC)CC
InChI	InChI=1S/C16H24N2O2/c1-5-17(6-2)15(19)13-11-9-10-12-14(13)16(20)18(7-3)8-4/h9-12H,5-8H2,1-4H3

InChI Key

OPTBBAGXQYOFTL-UHFFFAOYSA-N

Smiles

CCN(CC)C(=O)c1c(cccc1)C(=O)N(CC)CC

InChI

InChI=1S/C16H24N2O2/c1-5-17(6-2)15(19)13-11-9-10-12-14(13)16(20)18(7-3)8-4/h9-12H,5-8H2,1-4H3

Property Name	Value
Molecular Formula	C16H24N2O2
Molecular Weight	276.18
AlogP	2.65
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	40.62
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C16H24N2O2

Molecular Weight

276.18

AlogP

2.65

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

6.0

Polar Surface Area

40.62

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	83-81-8
NORMAN SUSDAT
FDA SRS	22TJ09HM80
PubChem	66526
ChemSpider	59897.0

Resources

Reference

CAS NUMBER

83-81-8

NORMAN SUSDAT

FDA SRS

22TJ09HM80

PubChem

66526

ChemSpider

59897.0

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

1,2-BENZENEDICARBOXAMIDE, N,N,N',N'-TETRAETHYL-

Structure

Physicochemical Descriptors

Cross References