EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID1067205

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID1067205


InChI Key	VKWZDXGYNMWHQU-UHFFFAOYSA-N
Smiles	CCCCCCCCC(=O)NCCNCCNCCNCCN
InChI	InChI=1S/C17H39N5O/c1-2-3-4-5-6-7-8-17(23)22-16-15-21-14-13-20-12-11-19-10-9-18/h19-21H,2-16,18H2,1H3,(H,22,23)

InChI Key

VKWZDXGYNMWHQU-UHFFFAOYSA-N

Smiles

CCCCCCCCC(=O)NCCNCCNCCNCCN

InChI

InChI=1S/C17H39N5O/c1-2-3-4-5-6-7-8-17(23)22-16-15-21-14-13-20-12-11-19-10-9-18/h19-21H,2-16,18H2,1H3,(H,22,23)

Property Name	Value
Molecular Formula	C17H39N5O1
Molecular Weight	329.32
AlogP	1.42
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	18.0
Polar Surface Area	94.7
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C17H39N5O1

Molecular Weight

329.32

AlogP

1.42

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

18.0

Polar Surface Area

94.7

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	26392-63-2
NORMAN SUSDAT
PubChem	105542
ChemSpider	95171.0

Resources

Reference

CAS NUMBER

26392-63-2

NORMAN SUSDAT

PubChem

105542

ChemSpider

95171.0

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

NONANAMIDE, N-[2-[[2-[[2-[(2-AMINOETHYL)AMINO]ETHYL]AMINO]ETHYL]AMINO]ETHYL]-

Structure

Physicochemical Descriptors

Cross References