EcoDrugPlus


Keyword(s):	Human Metabolites
Molecule Category	Free-form
UNII	679RC9H8TG
EPA CompTox	DTXSID0023450

Keyword(s):

Human Metabolites

Molecule Category

Free-form

UNII

679RC9H8TG

EPA CompTox

DTXSID0023450


InChI Key	BFMBKRQFMIILCH-UHFFFAOYSA-N
Smiles	O=C1NC(=O)C(C=2C=CC=CC2)(CC1)CCN(CC)CC
InChI	InChI=1/C17H24N2O2/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11-10-15(20)18-16(17)21/h5-9H,3-4,10-13H2,1-2H3,(H,18,20,21)

InChI Key

BFMBKRQFMIILCH-UHFFFAOYSA-N

Smiles

O=C1NC(=O)C(C=2C=CC=CC2)(CC1)CCN(CC)CC

InChI

InChI=1/C17H24N2O2/c1-3-19(4-2)13-12-17(14-8-6-5-7-9-14)11-10-15(20)18-16(17)21/h5-9H,3-4,10-13H2,1-2H3,(H,18,20,21)

Property Name	Value
Molecular Formula	C17H24N2O2
Molecular Weight	288.18
AlogP	2.93
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	52.9
Heavy Atoms	21.0

Property Name

Value

Molecular Formula

C17H24N2O2

Molecular Weight

288.18

AlogP

2.93

Hydrogen Bond Acceptor

2.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

6.0

Polar Surface Area

52.9

Heavy Atoms

21.0

Resources	Reference
CAS NUMBER	1156-05-4
NORMAN SUSDAT
FDA SRS	679RC9H8TG
PubChem	102669

Resources

Reference

CAS NUMBER

1156-05-4

NORMAN SUSDAT

FDA SRS

679RC9H8TG

PubChem

102669

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

PHENGLUTARIMIDE

Structure

Physicochemical Descriptors

Cross References