EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FRM7G7A444
EPA CompTox	DTXSID3062998

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FRM7G7A444

EPA CompTox

DTXSID3062998


InChI Key	JHOKTNSTUVKGJC-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCC(=O)NCO
InChI	InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21/h21H,2-18H2,1H3,(H,20,22)

InChI Key

JHOKTNSTUVKGJC-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)NCO

InChI

InChI=1S/C19H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(22)20-18-21/h21H,2-18H2,1H3,(H,20,22)

Property Name	Value
Molecular Formula	C19H39N1O2
Molecular Weight	313.3
AlogP	6.15
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	17.0
Polar Surface Area	52.82
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C19H39N1O2

Molecular Weight

313.3

AlogP

6.15

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

17.0

Polar Surface Area

52.82

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	3370-35-2
NORMAN SUSDAT
FDA SRS	FRM7G7A444
PubChem	76896
ChemSpider	69347.0

Resources

Reference

CAS NUMBER

3370-35-2

NORMAN SUSDAT

FDA SRS

FRM7G7A444

PubChem

76896

ChemSpider

69347.0

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-(HYDROXYMETHYL)-

Structure

Physicochemical Descriptors

Cross References