EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	X7DZ4QEJ4B
EPA CompTox	DTXSID30193156

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

X7DZ4QEJ4B

EPA CompTox

DTXSID30193156


InChI Key	UQISDSAIAARTPX-UHFFFAOYSA-N
Smiles	CCCCN(CCCC)C(=O)CBr
InChI	InChI=1S/C10H20BrNO/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3-9H2,1-2H3

InChI Key

UQISDSAIAARTPX-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)C(=O)CBr

InChI

InChI=1S/C10H20BrNO/c1-3-5-7-12(8-6-4-2)10(13)9-11/h3-9H2,1-2H3

Property Name	Value
Molecular Formula	C10H20Br1N1O1
Molecular Weight	249.07
AlogP	2.81
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	20.31
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C10H20Br1N1O1

Molecular Weight

249.07

AlogP

2.81

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

7.0

Polar Surface Area

20.31

Heavy Atoms

13.0

Resources	Reference
CAS NUMBER	40124-27-4
NORMAN SUSDAT
FDA SRS	X7DZ4QEJ4B
PubChem	3016161
ChemSpider	2284158.0

Resources

Reference

CAS NUMBER

40124-27-4

NORMAN SUSDAT

FDA SRS

X7DZ4QEJ4B

PubChem

3016161

ChemSpider

2284158.0

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

2-BROMO-N,N-DIBUTYLACETAMIDE

Structure

Physicochemical Descriptors

Cross References