EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	ECS4Z6TWQ6
EPA CompTox	DTXSID001002015

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

ECS4Z6TWQ6

EPA CompTox

DTXSID001002015


InChI Key	YVAKVTNKLMUNBR-UHFFFAOYSA-N
Smiles	O=C(N(C)C)C(CC)CCCC
InChI	InChI=1/C10H21NO/c1-5-7-8-9(6-2)10(12)11(3)4/h9H,5-8H2,1-4H3

InChI Key

YVAKVTNKLMUNBR-UHFFFAOYSA-N

Smiles

O=C(N(C)C)C(CC)CCCC

InChI

InChI=1/C10H21NO/c1-5-7-8-9(6-2)10(12)11(3)4/h9H,5-8H2,1-4H3

Property Name	Value
Molecular Formula	C10H21NO
Molecular Weight	171.16
AlogP	2.29
Hydrogen Bond Acceptor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	20.31
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C10H21NO

Molecular Weight

171.16

AlogP

2.29

Hydrogen Bond Acceptor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

20.31

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	81499-27-6
NORMAN SUSDAT
FDA SRS	ECS4Z6TWQ6
PubChem	3019000

Resources

Reference

CAS NUMBER

81499-27-6

NORMAN SUSDAT

FDA SRS

ECS4Z6TWQ6

PubChem

3019000

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-ETHYL-N,N-DIMETHYLHEXANAMIDE

Structure

Physicochemical Descriptors

Cross References