EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID801004415

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID801004415


InChI Key	OHUPFRGAUGZKCY-UHFFFAOYSA-N
Smiles	O=C1OC(=O)C(N(C(=O)C(C)C)CCCCCCCCCCCCCCCCCC)C1
InChI	InChI=1/C26H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(25(29)22(2)3)23-21-24(28)31-26(23)30/h22-23H,4-21H2,1-3H3

InChI Key

OHUPFRGAUGZKCY-UHFFFAOYSA-N

Smiles

O=C1OC(=O)C(N(C(=O)C(C)C)CCCCCCCCCCCCCCCCCC)C1

InChI

InChI=1/C26H47NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(25(29)22(2)3)23-21-24(28)31-26(23)30/h22-23H,4-21H2,1-3H3

Property Name	Value
Molecular Formula	C26H47NO4
Molecular Weight	437.35
AlogP	6.57
Hydrogen Bond Acceptor	4.0
Number of Rotational Bond	19.0
Polar Surface Area	63.68
Heavy Atoms	31.0

Property Name

Value

Molecular Formula

C26H47NO4

Molecular Weight

437.35

AlogP

6.57

Hydrogen Bond Acceptor

4.0

Number of Rotational Bond

19.0

Polar Surface Area

63.68

Heavy Atoms

31.0

Resources	Reference
CAS NUMBER	84145-66-4
NORMAN SUSDAT
PubChem	3019729

Resources

Reference

CAS NUMBER

84145-66-4

NORMAN SUSDAT

PubChem

3019729

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

2-METHYL-N-OCTADECYL-N-(TETRAHYDRO-2,5-DIOXO-3-FURYL)PROPIONAMIDE

Structure

Physicochemical Descriptors

Cross References