EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	66DS795YFF
EPA CompTox	DTXSID10185498

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

66DS795YFF

EPA CompTox

DTXSID10185498


InChI Key	RUDHWNPRHPXUGX-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCOCCCN(CCO)CCO
InChI	InChI=1S/C19H41NO3/c1-2-3-4-5-6-7-8-9-10-11-18-23-19-12-13-20(14-16-21)15-17-22/h21-22H,2-19H2,1H3

InChI Key

RUDHWNPRHPXUGX-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCOCCCN(CCO)CCO

InChI

InChI=1S/C19H41NO3/c1-2-3-4-5-6-7-8-9-10-11-18-23-19-12-13-20(14-16-21)15-17-22/h21-22H,2-19H2,1H3

Property Name	Value
Molecular Formula	C19H41N1O3
Molecular Weight	331.31
AlogP	3.6
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	19.0
Polar Surface Area	52.93
Heavy Atoms	23.0

Property Name

Value

Molecular Formula

C19H41N1O3

Molecular Weight

331.31

AlogP

3.6

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

19.0

Polar Surface Area

52.93

Heavy Atoms

23.0

Resources	Reference
CAS NUMBER	31611-18-4
NORMAN SUSDAT
FDA SRS	66DS795YFF
PubChem	19099031
ChemSpider	14339250.0

Resources

Reference

CAS NUMBER

31611-18-4

NORMAN SUSDAT

FDA SRS

66DS795YFF

PubChem

19099031

ChemSpider

14339250.0

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...

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Last update: Monday, 3 November 2025

2,2'-((3-(DODECYLOXY)PROPYL)IMINO)BISETHANOL

Structure

Physicochemical Descriptors

Cross References