EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	4OR3PG7TF6
EPA CompTox	DTXSID801307154

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

4OR3PG7TF6

EPA CompTox

DTXSID801307154


InChI Key	UGXJCRVJODURNQ-UHFFFAOYSA-N
Smiles	OC(C)CCNCCCCCCCCCCCCCC
InChI	InChI=1/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18(2)20/h18-20H,3-17H2,1-2H3

InChI Key

UGXJCRVJODURNQ-UHFFFAOYSA-N

Smiles

OC(C)CCNCCCCCCCCCCCCCC

InChI

InChI=1/C18H39NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18(2)20/h18-20H,3-17H2,1-2H3

Property Name	Value
Molecular Formula	C18H39NO
Molecular Weight	285.3
AlogP	5.05
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	16.0
Polar Surface Area	32.26
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C18H39NO

Molecular Weight

285.3

AlogP

5.05

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

16.0

Polar Surface Area

32.26

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	143-26-0
NORMAN SUSDAT
FDA SRS	4OR3PG7TF6
PubChem	31008

Resources

Reference

CAS NUMBER

143-26-0

NORMAN SUSDAT

FDA SRS

4OR3PG7TF6

PubChem

31008

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

4-(TETRADECYLAMINO)BUTAN-2-OL

Structure

Physicochemical Descriptors

Cross References