EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	A6V0QK911W
EPA CompTox	DTXSID10212591

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

A6V0QK911W

EPA CompTox

DTXSID10212591


InChI Key	GXQRNXRDAOAFDO-UHFFFAOYSA-N
Smiles	CCCC(=O)NCCN(C)C
InChI	InChI=1S/C8H18N2O/c1-4-5-8(11)9-6-7-10(2)3/h4-7H2,1-3H3,(H,9,11)

InChI Key

GXQRNXRDAOAFDO-UHFFFAOYSA-N

Smiles

CCCC(=O)NCCN(C)C

InChI

InChI=1S/C8H18N2O/c1-4-5-8(11)9-6-7-10(2)3/h4-7H2,1-3H3,(H,9,11)

Property Name	Value
Molecular Formula	C8H18N2O1
Molecular Weight	158.14
AlogP	1.3
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	35.83
Heavy Atoms	11.0

Property Name

Value

Molecular Formula

C8H18N2O1

Molecular Weight

158.14

AlogP

1.3

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

35.83

Heavy Atoms

11.0

Resources	Reference
CAS NUMBER	63224-16-8
NORMAN SUSDAT
FDA SRS	A6V0QK911W
PubChem	198440
ChemSpider	171758.0

Resources

Reference

CAS NUMBER

63224-16-8

NORMAN SUSDAT

FDA SRS

A6V0QK911W

PubChem

198440

ChemSpider

171758.0

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

BUTANAMIDE, N-(2-(DIMETHYLAMINO)ETHYL)-

Structure

Physicochemical Descriptors

Cross References