EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID4071138

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID4071138


InChI Key	JAWMAOQAPSZIIX-UHFFFAOYSA-N
Smiles	CCCCCCCC(=O)NCCNCCNCCNCCN
InChI	InChI=1S/C16H37N5O/c1-2-3-4-5-6-7-16(22)21-15-14-20-13-12-19-11-10-18-9-8-17/h18-20H,2-15,17H2,1H3,(H,21,22)

InChI Key

JAWMAOQAPSZIIX-UHFFFAOYSA-N

Smiles

CCCCCCCC(=O)NCCNCCNCCNCCN

InChI

InChI=1S/C16H37N5O/c1-2-3-4-5-6-7-16(22)21-15-14-20-13-12-19-11-10-18-9-8-17/h18-20H,2-15,17H2,1H3,(H,21,22)

Property Name	Value
Molecular Formula	C16H37N5O1
Molecular Weight	315.3
AlogP	1.03
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	17.0
Polar Surface Area	94.7
Heavy Atoms	22.0

Property Name

Value

Molecular Formula

C16H37N5O1

Molecular Weight

315.3

AlogP

1.03

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

5.0

Number of Rotational Bond

17.0

Polar Surface Area

94.7

Heavy Atoms

22.0

Resources	Reference
CAS NUMBER	68133-38-0
NORMAN SUSDAT
PubChem	109536
ChemSpider	98475.0

Resources

Reference

CAS NUMBER

68133-38-0

NORMAN SUSDAT

PubChem

109536

ChemSpider

98475.0

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

OCTANAMIDE, N-[2-[[2-[[2-[(2-AMINOETHYL)AMINO]ETHYL]AMINO]ETHYL]AMINO]ETHYL]-

Structure

Physicochemical Descriptors

Cross References