EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	BN7483GH8P
EPA CompTox	DTXSID40144437

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

BN7483GH8P

EPA CompTox

DTXSID40144437


InChI Key	IQBHTRVNLWHNBL-UHFFFAOYSA-N
Smiles	CCN(CC)CNC(=O)C(=C)C
InChI	InChI=1S/C9H18N2O/c1-5-11(6-2)7-10-9(12)8(3)4/h3,5-7H2,1-2,4H3,(H,10,12)

InChI Key

IQBHTRVNLWHNBL-UHFFFAOYSA-N

Smiles

CCN(CC)CNC(=O)C(=C)C

InChI

InChI=1S/C9H18N2O/c1-5-11(6-2)7-10-9(12)8(3)4/h3,5-7H2,1-2,4H3,(H,10,12)

Property Name	Value
Molecular Formula	C9H18N2O1
Molecular Weight	170.14
AlogP	1.82
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	35.83
Heavy Atoms	12.0

Property Name

Value

Molecular Formula

C9H18N2O1

Molecular Weight

170.14

AlogP

1.82

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

5.0

Polar Surface Area

35.83

Heavy Atoms

12.0

Resources	Reference
CAS NUMBER	10196-75-5
NORMAN SUSDAT
FDA SRS	BN7483GH8P
PubChem	82447
ChemSpider	74373.0

Resources

Reference

CAS NUMBER

10196-75-5

NORMAN SUSDAT

FDA SRS

BN7483GH8P

PubChem

82447

ChemSpider

74373.0

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

N-((DIETHYLAMINO)METHYL)METHACRYLAMIDE

Structure

Physicochemical Descriptors

Cross References