EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6A4F777M28
EPA CompTox	DTXSID90240599

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6A4F777M28

EPA CompTox

DTXSID90240599


InChI Key	XHFWUECSNJWBJU-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO
InChI	InChI=1S/C24H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h26H,2-23H2,1H3,(H,25,27)

InChI Key

XHFWUECSNJWBJU-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCCCCCC(=O)NCCO

InChI

InChI=1S/C24H49NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h26H,2-23H2,1H3,(H,25,27)

Property Name	Value
Molecular Formula	C24H49N1O2
Molecular Weight	383.38
AlogP	7.76
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	22.0
Polar Surface Area	52.82
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C24H49N1O2

Molecular Weight

383.38

AlogP

7.76

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

22.0

Polar Surface Area

52.82

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	94109-05-4
NORMAN SUSDAT
FDA SRS	6A4F777M28
PubChem	3023585
ChemSpider	2289737.0

Resources

Reference

CAS NUMBER

94109-05-4

NORMAN SUSDAT

FDA SRS

6A4F777M28

PubChem

3023585

ChemSpider

2289737.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

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

Last update: Monday, 3 November 2025

BEHENAMIDE MEA

Structure

Physicochemical Descriptors

Cross References