EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID9069059

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID9069059


InChI Key	DIHCYFIQOLPTQW-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1
InChI	InChI=1S/C25H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(28)26-19-17-20-27-21-23-29-24-22-27/h2-24H2,1H3,(H,26,28)

InChI Key

DIHCYFIQOLPTQW-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)NCCCN1CCOCC1

InChI

InChI=1S/C25H50N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-25(28)26-19-17-20-27-21-23-29-24-22-27/h2-24H2,1H3,(H,26,28)

Property Name	Value
Molecular Formula	C25H50N2O2
Molecular Weight	410.39
AlogP	6.93
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	20.0
Polar Surface Area	45.06
Heavy Atoms	29.0

Property Name

Value

Molecular Formula

C25H50N2O2

Molecular Weight

410.39

AlogP

6.93

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

20.0

Polar Surface Area

45.06

Heavy Atoms

29.0

Resources	Reference
CAS NUMBER	55852-13-6
NORMAN SUSDAT
PubChem	108780
ChemSpider	97819.0

Resources

Reference

CAS NUMBER

55852-13-6

NORMAN SUSDAT

PubChem

108780

ChemSpider

97819.0

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

OCTADECANAMIDE, N-[3-(4-MORPHOLINYL)PROPYL]-

Structure

Physicochemical Descriptors

Cross References