EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
EPA CompTox	DTXSID50560543

Keyword(s):

Surfactants

Molecule Category

Free-form

EPA CompTox

DTXSID50560543


InChI Key	QIGYRHZXILJBGB-UHFFFAOYSA-N
Smiles	OCCNC(CCCCCCCCCCCC)=O
InChI	InChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17/h17H,2-14H2,1H3,(H,16,18)

InChI Key

QIGYRHZXILJBGB-UHFFFAOYSA-N

Smiles

OCCNC(CCCCCCCCCCCC)=O

InChI

InChI=1S/C15H31NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15(18)16-13-14-17/h17H,2-14H2,1H3,(H,16,18)

Property Name	Value
Molecular Formula	C15H31NO2
Molecular Weight	257.24
AlogP	4.25
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	13.0
Polar Surface Area	52.82
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C15H31NO2

Molecular Weight

257.24

AlogP

4.25

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

13.0

Polar Surface Area

52.82

Heavy Atoms

18.0

Resources	Reference
CAS NUMBER	66137-75-5
NORMAN SUSDAT
PubChem	14455156
ChemSpider	52083923.0

Resources

Reference

CAS NUMBER

66137-75-5

NORMAN SUSDAT

PubChem

14455156

ChemSpider

52083923.0

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

N1 C13 ALKANOLAMIDE

Structure

Physicochemical Descriptors

Cross References