EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID8066767

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID8066767


InChI Key	WEAJAFRCXNDNBY-UHFFFAOYSA-N
Smiles	CCN(CC)c1cc(NC(=O)CC)ccc1
InChI	InChI=1S/C13H20N2O/c1-4-13(16)14-11-8-7-9-12(10-11)15(5-2)6-3/h7-10H,4-6H2,1-3H3,(H,14,16)

InChI Key

WEAJAFRCXNDNBY-UHFFFAOYSA-N

Smiles

CCN(CC)c1cc(NC(=O)CC)ccc1

InChI

InChI=1S/C13H20N2O/c1-4-13(16)14-11-8-7-9-12(10-11)15(5-2)6-3/h7-10H,4-6H2,1-3H3,(H,14,16)

Property Name	Value
Molecular Formula	C13H20N2O1
Molecular Weight	220.16
AlogP	3.53
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	35.83
Heavy Atoms	16.0

Property Name

Value

Molecular Formula

C13H20N2O1

Molecular Weight

220.16

AlogP

3.53

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

35.83

Heavy Atoms

16.0

Resources	Reference
CAS NUMBER	22185-75-7
NORMAN SUSDAT
PubChem	89619
ChemSpider	80886.0

Resources

Reference

CAS NUMBER

22185-75-7

NORMAN SUSDAT

PubChem

89619

ChemSpider

80886.0

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, N-[3-(DIETHYLAMINO)PHENYL]-

Structure

Physicochemical Descriptors

Cross References