EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form
UNII	QE35S0T20Z
EPA CompTox	DTXSID30174127

Keyword(s):

Natural Toxins

Molecule Category

Free-form

UNII

QE35S0T20Z

EPA CompTox

DTXSID30174127


InChI Key	AKDLSISGGARWFP-UHFFFAOYSA-N
Smiles	COC1=C(O)C=CC(CNC(=O)CCCCCCCC(C)C)=C1
InChI	InChI=1S/C19H31NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22)

InChI Key

AKDLSISGGARWFP-UHFFFAOYSA-N

Smiles

COC1=C(O)C=CC(CNC(=O)CCCCCCCC(C)C)=C1

InChI

InChI=1S/C19H31NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22)

Property Name	Value
Molecular Formula	C19H31NO3
Molecular Weight	321.23
AlogP	5.24
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	11.0
Polar Surface Area	62.05
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H31NO3

Molecular Weight

321.23

AlogP

5.24

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

11.0

Polar Surface Area

62.05

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	20279-06-5
NORMAN SUSDAT
FDA SRS	QE35S0T20Z
PubChem	3084336
ChemSpider	2341417.0

Resources

Reference

CAS NUMBER

20279-06-5

NORMAN SUSDAT

FDA SRS

QE35S0T20Z

PubChem

3084336

ChemSpider

2341417.0

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...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

DECANAMIDE, N-((4-HYDROXY-3-METHOXYPHENYL)METHYL)-9-METHYL-

Structure

Physicochemical Descriptors

Cross References