EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	3GO8L1Z099
EPA CompTox	DTXSID0069389

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

3GO8L1Z099

EPA CompTox

DTXSID0069389


InChI Key	NGENVFQAIKEQNS-UHFFFAOYSA-N
Smiles	OCCN(CCO)C(=O)CCCCCCCCC=C
InChI	InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-15(19)16(11-13-17)12-14-18/h2,17-18H,1,3-14H2

InChI Key

NGENVFQAIKEQNS-UHFFFAOYSA-N

Smiles

OCCN(CCO)C(=O)CCCCCCCCC=C

InChI

InChI=1S/C15H29NO3/c1-2-3-4-5-6-7-8-9-10-15(19)16(11-13-17)12-14-18/h2,17-18H,1,3-14H2

Property Name	Value
Molecular Formula	C15H29N1O3
Molecular Weight	271.21
AlogP	2.11
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	13.0
Polar Surface Area	60.77
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C15H29N1O3

Molecular Weight

271.21

AlogP

2.11

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

13.0

Polar Surface Area

60.77

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	60239-68-1
NORMAN SUSDAT
FDA SRS	3GO8L1Z099
PubChem	108909
ChemSpider	97940.0

Resources

Reference

CAS NUMBER

60239-68-1

NORMAN SUSDAT

FDA SRS

3GO8L1Z099

PubChem

108909

ChemSpider

97940.0

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

10-UNDECENAMIDE, N,N-BIS(2-HYDROXYETHYL)-

Structure

Physicochemical Descriptors

Cross References