EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID70193953

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID70193953


InChI Key	DBLNSVZHOZOZQX-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCNC(=O)C=C
InChI	InChI=1S/C17H33NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-17(19)4-2/h4H,2-3,5-16H2,1H3,(H,18,19)

InChI Key

DBLNSVZHOZOZQX-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCCNC(=O)C=C

InChI

InChI=1S/C17H33NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-18-17(19)4-2/h4H,2-3,5-16H2,1H3,(H,18,19)

Property Name	Value
Molecular Formula	C17H33N1O1
Molecular Weight	267.26
AlogP	5.83
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	14.0
Polar Surface Area	32.59
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C17H33N1O1

Molecular Weight

267.26

AlogP

5.83

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

14.0

Polar Surface Area

32.59

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	40952-11-2
NORMAN SUSDAT
PubChem	3016236
ChemSpider	2284219.0

Resources

Reference

CAS NUMBER

40952-11-2

NORMAN SUSDAT

PubChem

3016236

ChemSpider

2284219.0

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-TETRADECYLACRYLAMIDE

Structure

Physicochemical Descriptors

Cross References