EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FES86MR7ZI
EPA CompTox	DTXSID6061072

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FES86MR7ZI

EPA CompTox

DTXSID6061072


InChI Key	XIPFMBOWZXULIA-UHFFFAOYSA-N
Smiles	CC(C)(C)C(=O)N
InChI	InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)

InChI Key

XIPFMBOWZXULIA-UHFFFAOYSA-N

Smiles

CC(C)(C)C(=O)N

InChI

InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)

Property Name	Value
Molecular Formula	C5H11N1O1
Molecular Weight	101.08
AlogP	1.57
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	2.0
Polar Surface Area	44.08
Heavy Atoms	7.0

Property Name

Value

Molecular Formula

C5H11N1O1

Molecular Weight

101.08

AlogP

1.57

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

2.0

Polar Surface Area

44.08

Heavy Atoms

7.0

Resources	Reference
CAS NUMBER	754-10-9
NORMAN SUSDAT
FDA SRS	FES86MR7ZI
PubChem	12957
ChemSpider	12417.0

Resources

Reference

CAS NUMBER

754-10-9

NORMAN SUSDAT

FDA SRS

FES86MR7ZI

PubChem

12957

ChemSpider

12417.0

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, 2,2-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References