EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	03XV449Q24
EPA CompTox	DTXSID00167844

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

03XV449Q24

EPA CompTox

DTXSID00167844


InChI Key	XDJMWTMWHKGSEB-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCC(=O)OCC(N)=O
InChI	InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)24-18-19(21)22/h2-18H2,1H3,(H2,21,22)

InChI Key

XDJMWTMWHKGSEB-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)OCC(N)=O

InChI

InChI=1S/C20H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)24-18-19(21)22/h2-18H2,1H3,(H2,21,22)

Property Name	Value
Molecular Formula	C20H39N1O3
Molecular Weight	341.29
AlogP	6.33
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	18.0
Polar Surface Area	70.38
Heavy Atoms	24.0

Property Name

Value

Molecular Formula

C20H39N1O3

Molecular Weight

341.29

AlogP

6.33

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

18.0

Polar Surface Area

70.38

Heavy Atoms

24.0

Resources	Reference
CAS NUMBER	16509-77-6
NORMAN SUSDAT
FDA SRS	03XV449Q24
PubChem	3032655
ChemSpider	2297572.0

Resources

Reference

CAS NUMBER

16509-77-6

NORMAN SUSDAT

FDA SRS

03XV449Q24

PubChem

3032655

ChemSpider

2297572.0

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

STEARIC MONOETHANOLAMIDE

Structure

Physicochemical Descriptors

Cross References