EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID1067047

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID1067047


InChI Key	YAGLIFQYQDBQLD-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCC(=O)NCCNCCO
InChI	InChI=1S/C20H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)22-17-16-21-18-19-23/h21,23H,2-19H2,1H3,(H,22,24)

InChI Key

YAGLIFQYQDBQLD-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCC(=O)NCCNCCO

InChI

InChI=1S/C20H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)22-17-16-21-18-19-23/h21,23H,2-19H2,1H3,(H,22,24)

Property Name	Value
Molecular Formula	C20H42N2O2
Molecular Weight	342.32
AlogP	5.01
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	19.0
Polar Surface Area	64.85
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C20H42N2O2

Molecular Weight

342.32

AlogP

5.01

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

19.0

Polar Surface Area

64.85

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	25065-63-8
NORMAN SUSDAT
PubChem	90705
ChemSpider	81894.0

Resources

Reference

CAS NUMBER

25065-63-8

NORMAN SUSDAT

PubChem

90705

ChemSpider

81894.0

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

HEXADECANAMIDE, N-[2-[(2-HYDROXYETHYL)AMINO]ETHYL]-

Structure

Physicochemical Descriptors

Cross References