EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	W7PJK333SW
EPA CompTox	DTXSID8066181

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

W7PJK333SW

EPA CompTox

DTXSID8066181


InChI Key	ZCJKJJQMCWSWGZ-UHFFFAOYSA-N
Smiles	CN(C)CCC(=O)N(C)C
InChI	InChI=1S/C7H16N2O/c1-8(2)6-5-7(10)9(3)4/h5-6H2,1-4H3

InChI Key

ZCJKJJQMCWSWGZ-UHFFFAOYSA-N

Smiles

CN(C)CCC(=O)N(C)C

InChI

InChI=1S/C7H16N2O/c1-8(2)6-5-7(10)9(3)4/h5-6H2,1-4H3

Property Name	Value
Molecular Formula	C7H16N2O1
Molecular Weight	144.13
AlogP	0.03
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	23.55
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C7H16N2O1

Molecular Weight

144.13

AlogP

0.03

Hydrogen Bond Acceptor

2.0

Number of Rotational Bond

3.0

Polar Surface Area

23.55

Heavy Atoms

10.0

Resources	Reference
CAS NUMBER	17268-47-2
NORMAN SUSDAT
FDA SRS	W7PJK333SW
PubChem	62711
ChemSpider	56458.0

Resources

Reference

CAS NUMBER

17268-47-2

NORMAN SUSDAT

FDA SRS

W7PJK333SW

PubChem

62711

ChemSpider

56458.0

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...

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Last update: Monday, 3 November 2025

PROPANAMIDE, 3-(DIMETHYLAMINO)-N,N-DIMETHYL-

Structure

Physicochemical Descriptors

Cross References