EcoDrugPlus


Synonyms	Axiquel MCN-X-181 NSC-32363 NSC-34092 Valnoctamide
Status
Molecule Category	Free-form
ATC	N05CM13
UNII	3O25NRX9YG

Synonyms

Axiquel

MCN-X-181

NSC-32363

NSC-34092

Valnoctamide

Status

Molecule Category

Free-form

ATC

N05CM13

UNII

3O25NRX9YG


InChI Key	QRCJOCOSPZMDJY-UHFFFAOYSA-N
Smiles	CCC(C)C(CC)C(N)=O
InChI	InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)

InChI Key

QRCJOCOSPZMDJY-UHFFFAOYSA-N

Smiles

CCC(C)C(CC)C(N)=O

InChI

InChI=1S/C8H17NO/c1-4-6(3)7(5-2)8(9)10/h6-7H,4-5H2,1-3H3,(H2,9,10)

Property Name	Value
Molecular Formula	C8H17NO
Molecular Weight	143.23
AlogP	1.54
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	43.09
Molecular species	NEUTRAL
Aromatic Rings	0.0
Heavy Atoms	10.0

Property Name

Value

Molecular Formula

C8H17NO

Molecular Weight

143.23

AlogP

1.54

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

4.0

Polar Surface Area

43.09

Molecular species

NEUTRAL

Aromatic Rings

0.0

Heavy Atoms

10.0

Resources	Reference
ChEBI	134767
ChEMBL	CHEMBL1075733
DrugBank	DB13099
DrugCentral	2802
FDA SRS	3O25NRX9YG
PubChem	20140
SureChEMBL	SCHEMBL387435

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

FDA SRS

PubChem

SureChEMBL

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

VALNOCTAMIDE

Structure

Physicochemical Descriptors

Cross References