EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	WZ93JU5WF0
EPA CompTox	DTXSID80193944

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

WZ93JU5WF0

EPA CompTox

DTXSID80193944


InChI Key	UKXSMVIDPJCDAQ-UHFFFAOYSA-N
Smiles	CN(C)CCCNC(=O)c1ccccc1
InChI	InChI=1S/C12H18N2O/c1-14(2)10-6-9-13-12(15)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,13,15)

InChI Key

UKXSMVIDPJCDAQ-UHFFFAOYSA-N

Smiles

CN(C)CCCNC(=O)c1ccccc1

InChI

InChI=1S/C12H18N2O/c1-14(2)10-6-9-13-12(15)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,13,15)

Property Name	Value
Molecular Formula	C12H18N2O1
Molecular Weight	206.14
AlogP	1.94
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	35.83
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C12H18N2O1

Molecular Weight

206.14

AlogP

1.94

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

35.83

Heavy Atoms

15.0

Resources	Reference
CAS NUMBER	40948-30-9
NORMAN SUSDAT
FDA SRS	WZ93JU5WF0
PubChem	2332594
ChemSpider	1742539.0

Resources

Reference

CAS NUMBER

40948-30-9

NORMAN SUSDAT

FDA SRS

WZ93JU5WF0

PubChem

2332594

ChemSpider

1742539.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

N-(3-(DIMETHYLAMINO)PROPYL)BENZAMIDE

Structure

Physicochemical Descriptors

Cross References