EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
EPA CompTox	DTXSID10466294

Keyword(s):

Surfactants

Molecule Category

Free-form

EPA CompTox

DTXSID10466294


InChI Key	GNIFNHHDIHBOSW-UHFFFAOYSA-N
Smiles	OCCN(CCO)C(CCCCCCCCCCCC)=O
InChI	InChI=1S/C17H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-17(21)18(13-15-19)14-16-20/h19-20H,2-16H2,1H3

InChI Key

GNIFNHHDIHBOSW-UHFFFAOYSA-N

Smiles

OCCN(CCO)C(CCCCCCCCCCCC)=O

InChI

InChI=1S/C17H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-17(21)18(13-15-19)14-16-20/h19-20H,2-16H2,1H3

Property Name	Value
Molecular Formula	C17H35NO3
Molecular Weight	301.26
AlogP	3.11
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	15.0
Polar Surface Area	60.77
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C17H35NO3

Molecular Weight

301.26

AlogP

3.11

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

15.0

Polar Surface Area

60.77

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	75587-66-5
NORMAN SUSDAT
PubChem	11449482
ChemSpider	9624334.0

Resources

Reference

CAS NUMBER

75587-66-5

NORMAN SUSDAT

PubChem

11449482

ChemSpider

9624334.0

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

N2 C13 ALKANOLAMIDE

Structure

Physicochemical Descriptors

Cross References