EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	HFZ3NEV9TW
EPA CompTox	DTXSID50234737

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

HFZ3NEV9TW

EPA CompTox

DTXSID50234737


InChI Key	NDGMGZDZOXTYQZ-NSHDSACASA-N
Smiles	CCCCN(CCCC)C(=O)C1CCC(=O)N1
InChI	InChI=1S/C13H24N2O2/c1-3-5-9-15(10-6-4-2)13(17)11-7-8-12(16)14-11/h11H,3-10H2,1-2H3,(H,14,16)/t11-/m0/s1

InChI Key

NDGMGZDZOXTYQZ-NSHDSACASA-N

Smiles

CCCCN(CCCC)C(=O)C1CCC(=O)N1

InChI

InChI=1S/C13H24N2O2/c1-3-5-9-15(10-6-4-2)13(17)11-7-8-12(16)14-11/h11H,3-10H2,1-2H3,(H,14,16)/t11-/m0/s1

Property Name	Value
Molecular Formula	C13H24N2O2
Molecular Weight	240.18
AlogP	2.53
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	52.9
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C13H24N2O2

Molecular Weight

240.18

AlogP

2.53

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

52.9

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	85551-26-4
NORMAN SUSDAT
FDA SRS	HFZ3NEV9TW
PubChem	21116955
ChemSpider	231942.0

Resources

Reference

CAS NUMBER

85551-26-4

NORMAN SUSDAT

FDA SRS

HFZ3NEV9TW

PubChem

21116955

ChemSpider

231942.0

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

(S)-N,N-DIBUTYL-5-OXOPYRROLIDINE-2-CARBOXAMIDE

Structure

Physicochemical Descriptors

Cross References