EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID6067048

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID6067048


InChI Key	ZHXQBNMVWBJMFB-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
InChI	InChI=1S/C23H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2,3)27/h4-22H2,1-3H3,(H,24,26)

InChI Key

ZHXQBNMVWBJMFB-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]

InChI

InChI=1S/C23H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2,3)27/h4-22H2,1-3H3,(H,24,26)

Property Name	Value
Molecular Formula	C23H48N2O2
Molecular Weight	384.37
AlogP	7.17
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	20.0
Polar Surface Area	55.65
Heavy Atoms	27.0

Property Name

Value

Molecular Formula

C23H48N2O2

Molecular Weight

384.37

AlogP

7.17

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

20.0

Polar Surface Area

55.65

Heavy Atoms

27.0

Resources	Reference
CAS NUMBER	25066-20-0
NORMAN SUSDAT
PubChem	90706
ChemSpider	81895.0

Resources

Reference

CAS NUMBER

25066-20-0

NORMAN SUSDAT

PubChem

90706

ChemSpider

81895.0

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

OCTADECANAMIDE, N-[3-(DIMETHYLOXIDOAMINO)PROPYL]-

Structure

Physicochemical Descriptors

Cross References