EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	JY2RCL3VTY
EPA CompTox	DTXSID8068836

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

JY2RCL3VTY

EPA CompTox

DTXSID8068836


InChI Key	LBVMWHCOFMFPEG-UHFFFAOYSA-N
Smiles	COCCC(=O)N(C)C
InChI	InChI=1S/C6H13NO2/c1-7(2)6(8)4-5-9-3/h4-5H2,1-3H3

InChI Key

LBVMWHCOFMFPEG-UHFFFAOYSA-N

Smiles

COCCC(=O)N(C)C

InChI

InChI=1S/C6H13NO2/c1-7(2)6(8)4-5-9-3/h4-5H2,1-3H3

Property Name	Value
Molecular Formula	C6H13N1O2
Molecular Weight	131.09
AlogP	0.11
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	29.54
Heavy Atoms	9.0

Property Name

Value

Molecular Formula

C6H13N1O2

Molecular Weight

131.09

AlogP

0.11

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

29.54

Heavy Atoms

9.0

Resources	Reference
CAS NUMBER	53185-52-7
NORMAN SUSDAT
FDA SRS	JY2RCL3VTY
PubChem	104427
ChemSpider	94273.0

Resources

Reference

CAS NUMBER

53185-52-7

NORMAN SUSDAT

FDA SRS

JY2RCL3VTY

PubChem

104427

ChemSpider

94273.0

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

PROPANAMIDE, 3-METHOXY-N,N-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References