EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70885048

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70885048


InChI Key	FUVVCZPEOKAHJS-UHFFFAOYSA-N
Smiles	OCCNCC(O)COCCCCCCCCCCCC
InChI	InChI=1/C17H37NO3/c1-2-3-4-5-6-7-8-9-10-11-14-21-16-17(20)15-18-12-13-19/h17-20H,2-16H2,1H3

InChI Key

FUVVCZPEOKAHJS-UHFFFAOYSA-N

Smiles

OCCNCC(O)COCCCCCCCCCCCC

InChI

InChI=1/C17H37NO3/c1-2-3-4-5-6-7-8-9-10-11-14-21-16-17(20)15-18-12-13-19/h17-20H,2-16H2,1H3

Property Name	Value
Molecular Formula	C17H37NO3
Molecular Weight	303.28
AlogP	2.87
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	17.0
Polar Surface Area	61.72
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C17H37NO3

Molecular Weight

303.28

AlogP

2.87

Hydrogen Bond Acceptor

4.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

17.0

Polar Surface Area

61.72

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	18448-68-5
NORMAN SUSDAT
PubChem	86740

Resources

Reference

CAS NUMBER

18448-68-5

NORMAN SUSDAT

PubChem

86740

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

1-(DODECYLOXY)-3-[(2-HYDROXYETHYL)AMINO]PROPAN-2-OL

Structure

Physicochemical Descriptors

Cross References