EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	6L3SVA8Q3S
EPA CompTox	DTXSID1065506

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

6L3SVA8Q3S

EPA CompTox

DTXSID1065506


InChI Key	OTCJNNORZZUDIL-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCC(=O)NCCCN
InChI	InChI=1S/C17H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(20)19-16-13-15-18/h2-16,18H2,1H3,(H,19,20)

InChI Key

OTCJNNORZZUDIL-UHFFFAOYSA-N

Smiles

CCCCCCCCCCCCCC(=O)NCCCN

InChI

InChI=1S/C17H36N2O/c1-2-3-4-5-6-7-8-9-10-11-12-14-17(20)19-16-13-15-18/h2-16,18H2,1H3,(H,19,20)

Property Name	Value
Molecular Formula	C17H36N2O1
Molecular Weight	284.28
AlogP	4.99
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	15.0
Polar Surface Area	58.61
Heavy Atoms	20.0

Property Name

Value

Molecular Formula

C17H36N2O1

Molecular Weight

284.28

AlogP

4.99

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

2.0

Number of Rotational Bond

15.0

Polar Surface Area

58.61

Heavy Atoms

20.0

Resources	Reference
CAS NUMBER	13482-06-9
NORMAN SUSDAT
FDA SRS	6L3SVA8Q3S
PubChem	83522
ChemSpider	75356.0

Resources

Reference

CAS NUMBER

13482-06-9

NORMAN SUSDAT

FDA SRS

6L3SVA8Q3S

PubChem

83522

ChemSpider

75356.0

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

TETRADECANAMIDE, N-(3-AMINOPROPYL)-

Structure

Physicochemical Descriptors

Cross References