EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
EPA CompTox	DTXSID6066997

Keyword(s):

Human Metabolites

Molecule Category

Free-form

EPA CompTox

DTXSID6066997


InChI Key	UIQVGOZJVVAPOV-UHFFFAOYSA-N
Smiles	COc1c(cc(NC(=O)C)cc1)N(CCO)CCO
InChI	InChI=1S/C13H20N2O4/c1-10(18)14-11-3-4-13(19-2)12(9-11)15(5-7-16)6-8-17/h3-4,9,16-17H,5-8H2,1-2H3,(H,14,18)

InChI Key

UIQVGOZJVVAPOV-UHFFFAOYSA-N

Smiles

COc1c(cc(NC(=O)C)cc1)N(CCO)CCO

InChI

InChI=1S/C13H20N2O4/c1-10(18)14-11-3-4-13(19-2)12(9-11)15(5-7-16)6-8-17/h3-4,9,16-17H,5-8H2,1-2H3,(H,14,18)

Property Name	Value
Molecular Formula	C13H20N2O4
Molecular Weight	268.14
AlogP	1.09
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	7.0
Polar Surface Area	85.52
Heavy Atoms	19.0

Property Name

Value

Molecular Formula

C13H20N2O4

Molecular Weight

268.14

AlogP

1.09

Hydrogen Bond Acceptor

5.0

Hydrogen Bond Donor

3.0

Number of Rotational Bond

7.0

Polar Surface Area

85.52

Heavy Atoms

19.0

Resources	Reference
CAS NUMBER	24530-67-4
NORMAN SUSDAT
PubChem	90529
ChemSpider	79443.0

Resources

Reference

CAS NUMBER

24530-67-4

NORMAN SUSDAT

PubChem

90529

ChemSpider

79443.0

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

ACETAMIDE, N-[3-[BIS(2-HYDROXYETHYL)AMINO]-4-METHOXYPHENYL]-

Structure

Physicochemical Descriptors

Cross References