EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	9007K4PL3H
EPA CompTox	DTXSID5044865

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

9007K4PL3H

EPA CompTox

DTXSID5044865


InChI Key	CPHJEACXPATRSU-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCN(CCO)CCO
InChI	InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15-17-20)16-18-21/h20-21H,2-18H2,1H3

InChI Key

CPHJEACXPATRSU-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCN(CCO)CCO

InChI

InChI=1S/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19(15-17-20)16-18-21/h20-21H,2-18H2,1H3

Property Name	Value
Molecular Formula	C18H39N1O2
Molecular Weight	301.3
AlogP	3.97
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	17.0
Polar Surface Area	43.7
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C18H39N1O2

Molecular Weight

301.3

AlogP

3.97

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

17.0

Polar Surface Area

43.7

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	18924-66-8
NORMAN SUSDAT
FDA SRS	9007K4PL3H
PubChem	12942137
ChemSpider	11317941.0

Resources

Reference

CAS NUMBER

18924-66-8

NORMAN SUSDAT

FDA SRS

9007K4PL3H

PubChem

12942137

ChemSpider

11317941.0

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

2,2'-(TETRADECYLIMINO)DIETHANOL

Structure

Physicochemical Descriptors

Cross References