EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	XE2SIC67YA
EPA CompTox	DTXSID60178693

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

XE2SIC67YA

EPA CompTox

DTXSID60178693


InChI Key	UATUCIKYJLUTBD-UHFFFAOYSA-N
Smiles	CCCCN(CCCC)CCOC(=O)C(=C)C
InChI	InChI=1S/C14H27NO2/c1-5-7-9-15(10-8-6-2)11-12-17-14(16)13(3)4/h3,5-12H2,1-2,4H3

InChI Key

UATUCIKYJLUTBD-UHFFFAOYSA-N

Smiles

CCCCN(CCCC)CCOC(=O)C(=C)C

InChI

InChI=1S/C14H27NO2/c1-5-7-9-15(10-8-6-2)11-12-17-14(16)13(3)4/h3,5-12H2,1-2,4H3

Property Name	Value
Molecular Formula	C14H27N1O2
Molecular Weight	241.2
AlogP	3.01
Hydrogen Bond Acceptor	3.0
Number of Rotational Bond	10.0
Polar Surface Area	29.54
Heavy Atoms	17.0

Property Name

Value

Molecular Formula

C14H27N1O2

Molecular Weight

241.2

AlogP

3.01

Hydrogen Bond Acceptor

3.0

Number of Rotational Bond

10.0

Polar Surface Area

29.54

Heavy Atoms

17.0

Resources	Reference
CAS NUMBER	2397-75-3
NORMAN SUSDAT
FDA SRS	XE2SIC67YA
PubChem	75455
ChemSpider	67985.0

Resources

Reference

CAS NUMBER

2397-75-3

NORMAN SUSDAT

FDA SRS

XE2SIC67YA

PubChem

75455

ChemSpider

67985.0

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...

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

Last update: Monday, 3 November 2025

2-(DIBUTYLAMINO)ETHYL METHACRYLATE

Structure

Physicochemical Descriptors

Cross References