EcoDrugPlus


Keyword(s):	Food Contact Chemicals
Molecule Category	Salt-form

Keyword(s):

Food Contact Chemicals

Molecule Category

Salt-form


InChI Key	XNDDBWAGMIMDPB-GMFCBQQYSA-M
Smiles	CCCCCCCC/C=CCCCCCCCC(=O)N(C)CC(=O)[O-].[K+]
InChI	InChI=1S/C21H39NO3.K/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;+1/p-1/b11-10-;

InChI Key

XNDDBWAGMIMDPB-GMFCBQQYSA-M

Smiles

CCCCCCCC/C=CCCCCCCCC(=O)N(C)CC(=O)[O-].[K+]

InChI

InChI=1S/C21H39NO3.K/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);/q;+1/p-1/b11-10-;

Property Name	Value
Molecular Formula	C21H38KNO3
Molecular Weight	391.25
AlogP	1.24
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	17.0
Polar Surface Area	60.44
Heavy Atoms	26.0

Property Name

Value

Molecular Formula

C21H38KNO3

Molecular Weight

391.25

AlogP

1.24

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

17.0

Polar Surface Area

60.44

Heavy Atoms

26.0

Resources	Reference
CAS NUMBER	76622-74-7
NORMAN SUSDAT
PubChem	44153596

Resources

Reference

CAS NUMBER

76622-74-7

NORMAN SUSDAT

PubChem

44153596

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

AMIDE OF OLEIC ACID WITH N-METHYL-AMINOACETIC ACID, POTASSIUM SALT

Structure

Physicochemical Descriptors

Cross References