EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID40726858

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID40726858


InChI Key	AYGYDSKVANLUER-UHFFFAOYSA-N
Smiles	CN(C)CCCNC(=O)CCCCCCCCC=C
InChI	InChI=1S/C16H32N2O/c1-4-5-6-7-8-9-10-11-13-16(19)17-14-12-15-18(2)3/h4H,1,5-15H2,2-3H3,(H,17,19)

InChI Key

AYGYDSKVANLUER-UHFFFAOYSA-N

Smiles

CN(C)CCCNC(=O)CCCCCCCCC=C

InChI

InChI=1S/C16H32N2O/c1-4-5-6-7-8-9-10-11-13-16(19)17-14-12-15-18(2)3/h4H,1,5-15H2,2-3H3,(H,17,19)

Property Name	Value
Molecular Formula	C16H32N2O1
Molecular Weight	268.25
AlogP	4.2
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	13.0
Polar Surface Area	35.83
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C16H32N2O1

Molecular Weight

268.25

AlogP

4.2

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

13.0

Polar Surface Area

35.83

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	66654-01-1
NORMAN SUSDAT
PubChem	57483251
ChemSpider	23352145.0

Resources

Reference

CAS NUMBER

66654-01-1

NORMAN SUSDAT

PubChem

57483251

ChemSpider

23352145.0

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

N-[3-(DIMETHYLAMINO)PROPYL]UNDEC-10-ENAMIDE

Structure

Physicochemical Descriptors

Cross References