EcoDrugPlus


Synonyms	3-hydroxy-4-butyrophenetidide 3-hydroxy-p-butyrophenetidide Betadid Bucetin NSC-320045 NSC-759243
Status
Molecule Category	Free-form
ATC	N02BE04
UNII	6M7CVQ8PF8
EPA CompTox	DTXSID6020721


InChI Key	LIAWQASKBFCRNR-UHFFFAOYSA-N
Smiles	CCOc1ccc(NC(=O)CC(C)O)cc1
InChI	InChI=1S/C12H17NO3/c1-3-16-11-6-4-10(5-7-11)13-12(15)8-9(2)14/h4-7,9,14H,3,8H2,1-2H3,(H,13,15)

Property Name	Value
Molecular Formula	C12H17NO3
Molecular Weight	223.27
AlogP	1.79
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	58.56
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	16.0

Resources	Reference
CAS NUMBER	1083-57-4
ChEBI	31311
ChEMBL	CHEMBL1697856
DrugBank	DB13278
DrugCentral	413
FDA SRS	6M7CVQ8PF8
PubChem	14130
SureChEMBL	SCHEMBL25373

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, 23^rd March 2026

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