EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID10191099

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID10191099


InChI Key	WYKNPRLDNHMSHZ-QFIPXVFZSA-N
Smiles	CCCCCCCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1
InChI	InChI=1S/C24H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-24(27)22-19-20-23(26)25-22/h22H,2-21H2,1H3,(H,25,26)/t22-/m1/s1

InChI Key

WYKNPRLDNHMSHZ-QFIPXVFZSA-N

Smiles

CCCCCCCCCCCCCCCCCCCOC(=O)C1CCC(=O)N1

InChI

InChI=1S/C24H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-24(27)22-19-20-23(26)25-22/h22H,2-21H2,1H3,(H,25,26)/t22-/m1/s1

Property Name	Value
Molecular Formula	C24H45N1O3
Molecular Weight	395.34
AlogP	7.3
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	19.0
Polar Surface Area	58.89
Heavy Atoms	28.0

Property Name

Value

Molecular Formula

C24H45N1O3

Molecular Weight

395.34

AlogP

7.3

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

19.0

Polar Surface Area

58.89

Heavy Atoms

28.0

Resources	Reference
CAS NUMBER	37673-35-1
NORMAN SUSDAT
PubChem	56842419
ChemSpider	21230091.0

Resources

Reference

CAS NUMBER

37673-35-1

NORMAN SUSDAT

PubChem

56842419

ChemSpider

21230091.0

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

NONADECYL 5-OXO-L-PROLINATE

Structure

Physicochemical Descriptors

Cross References