EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	KBJ5DJH7CF
EPA CompTox	DTXSID10884590

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

KBJ5DJH7CF

EPA CompTox

DTXSID10884590


InChI Key	ACALHKQKISMQQT-UHFFFAOYSA-N
Smiles	O=C(C=C)NC(C)CCCCCCCCCC
InChI	InChI=1/C15H29NO/c1-4-6-7-8-9-10-11-12-13-14(3)16-15(17)5-2/h5,14H,2,4,6-13H2,1,3H3,(H,16,17)

InChI Key

ACALHKQKISMQQT-UHFFFAOYSA-N

Smiles

O=C(C=C)NC(C)CCCCCCCCCC

InChI

InChI=1/C15H29NO/c1-4-6-7-8-9-10-11-12-13-14(3)16-15(17)5-2/h5,14H,2,4,6-13H2,1,3H3,(H,16,17)

Property Name	Value
Molecular Formula	C15H29NO
Molecular Weight	239.22
AlogP	5.05
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	11.0
Polar Surface Area	32.59
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C15H29NO

Molecular Weight

239.22

AlogP

5.05

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

11.0

Polar Surface Area

32.59

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	13288-50-1
NORMAN SUSDAT
FDA SRS	KBJ5DJH7CF
PubChem	114489

Resources

Reference

CAS NUMBER

13288-50-1

NORMAN SUSDAT

FDA SRS

KBJ5DJH7CF

PubChem

114489

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-(1-METHYLUNDECYL)ACRYLAMIDE

Structure

Physicochemical Descriptors

Cross References