EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	FBO90A88T6
EPA CompTox	DTXSID5061372

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

FBO90A88T6

EPA CompTox

DTXSID5061372


InChI Key	FHJRFIYKPIXQNQ-UHFFFAOYSA-N
Smiles	CCCCCCCC(=O)N(CC)CC
InChI	InChI=1S/C12H25NO/c1-4-7-8-9-10-11-12(14)13(5-2)6-3/h4-11H2,1-3H3

InChI Key

FHJRFIYKPIXQNQ-UHFFFAOYSA-N

Smiles

CCCCCCCC(=O)N(CC)CC

InChI

InChI=1S/C12H25NO/c1-4-7-8-9-10-11-12(14)13(5-2)6-3/h4-11H2,1-3H3

Property Name	Value
Molecular Formula	C12H25N1O1
Molecular Weight	199.19
AlogP	3.22
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	8.0
Polar Surface Area	20.31
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H25N1O1

Molecular Weight

199.19

AlogP

3.22

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

8.0

Polar Surface Area

20.31

Heavy Atoms

14.0

Resources	Reference
CAS NUMBER	996-97-4
NORMAN SUSDAT
FDA SRS	FBO90A88T6
PubChem	70456
ChemSpider	63635.0

Resources

Reference

CAS NUMBER

996-97-4

NORMAN SUSDAT

FDA SRS

FBO90A88T6

PubChem

70456

ChemSpider

63635.0

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

OCTANAMIDE, N,N-DIETHYL-

Structure

Physicochemical Descriptors

Cross References