EcoDrugPlus


Keyword(s):	Natural Toxins
Molecule Category	Free-form

Keyword(s):

Natural Toxins

Molecule Category

Free-form


InChI Key	GOBFKCLUUUDTQE-UHFFFAOYSA-N
Smiles	CCC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
InChI	InChI=1S/C19H31NO3/c1-4-15(2)9-7-5-6-8-10-19(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

GOBFKCLUUUDTQE-UHFFFAOYSA-N

Smiles

CCC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

InChI

InChI=1S/C19H31NO3/c1-4-15(2)9-7-5-6-8-10-19(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	71239-21-9
NORMAN SUSDAT
PubChem	11688359
ChemSpider	9863086.0

Resources

Reference

CAS NUMBER

71239-21-9

NORMAN SUSDAT

PubChem

11688359

ChemSpider

9863086.0

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

N-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-8-METHYLDECANAMIDE

Structure

Physicochemical Descriptors

Cross References