EcoDrugPlus


Keyword(s):	Surfactants
Molecule Category	Free-form
EPA CompTox	DTXSID90560547

Keyword(s):

Surfactants

Molecule Category

Free-form

EPA CompTox

DTXSID90560547


InChI Key	IVFVNQFLODATQE-UHFFFAOYSA-N
Smiles	OCCN(CCO)C(CCCCCCCCCCCCCCCC)=O
InChI	InChI=1S/C21H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)22(17-19-23)18-20-24/h23-24H,2-20H2,1H3

InChI Key

IVFVNQFLODATQE-UHFFFAOYSA-N

Smiles

OCCN(CCO)C(CCCCCCCCCCCCCCCC)=O

InChI

InChI=1S/C21H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)22(17-19-23)18-20-24/h23-24H,2-20H2,1H3

Property Name	Value
Molecular Formula	C21H43NO3
Molecular Weight	357.32
AlogP	4.67
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	19.0
Polar Surface Area	60.77
Heavy Atoms	25.0

Property Name

Value

Molecular Formula

C21H43NO3

Molecular Weight

357.32

AlogP

4.67

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

19.0

Polar Surface Area

60.77

Heavy Atoms

25.0

Resources	Reference
CAS NUMBER	123772-19-0
NORMAN SUSDAT
PubChem	14455177
ChemSpider	28679574.0

Resources

Reference

CAS NUMBER

123772-19-0

NORMAN SUSDAT

PubChem

14455177

ChemSpider

28679574.0

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 C17 ALKANOLAMIDE

Structure

Physicochemical Descriptors

Cross References