EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID5068817

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID5068817


InChI Key	PQHUNAMOLSBIAU-UHFFFAOYSA-N
Smiles	OCCN(CCO)C(=O)CCCCCCCC(=O)N(CCO)CCO
InChI	InChI=1S/C17H34N2O6/c20-12-8-18(9-13-21)16(24)6-4-2-1-3-5-7-17(25)19(10-14-22)11-15-23/h20-23H,1-15H2

InChI Key

PQHUNAMOLSBIAU-UHFFFAOYSA-N

Smiles

OCCN(CCO)C(=O)CCCCCCCC(=O)N(CCO)CCO

InChI

InChI=1S/C17H34N2O6/c20-12-8-18(9-13-21)16(24)6-4-2-1-3-5-7-17(25)19(10-14-22)11-15-23/h20-23H,1-15H2

Property Name	Value
Molecular Formula	C17H34N2O6
Molecular Weight	362.24
AlogP	-0.66
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	16.0
Polar Surface Area	121.54
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C17H34N2O6

Molecular Weight

362.24

AlogP

-0.66

Hydrogen Bond Acceptor

6.0

Hydrogen Bond Donor

4.0

Number of Rotational Bond

16.0

Polar Surface Area

121.54

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	52914-63-3
NORMAN SUSDAT
PubChem	104357
ChemSpider	94212.0

Resources

Reference

CAS NUMBER

52914-63-3

NORMAN SUSDAT

PubChem

104357

ChemSpider

94212.0

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

NONANEDIAMIDE, N,N,N',N'-TETRAKIS(2-HYDROXYETHYL)-

Structure

Physicochemical Descriptors

Cross References