N'-(1-Hexyl-2-oxoindolin-3-ylidene)benzohydrazide
PubChem CID
135743701
Structure
Molecular Formula
Synonyms
- 1048973-47-2
- MDA 19
- N'-(1-Hexyl-2-oxoindolin-3-ylidene)benzohydrazide
- MDA-19
- X83OI5CX2U
Molecular Weight
349.4 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Dates
- Create:2019-01-17
- Modify:2025-01-18
Chemical Structure Depiction
COD records with this CID as component
N-(1-hexyl-2-hydroxyindol-3-yl)iminobenzamide
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C21H23N3O2/c1-2-3-4-10-15-24-18-14-9-8-13-17(18)19(21(24)26)22-23-20(25)16-11-6-5-7-12-16/h5-9,11-14,26H,2-4,10,15H2,1H3
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
ICNRTDOKKSWDRL-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CCCCCCN1C2=CC=CC=C2C(=C1O)N=NC(=O)C3=CC=CC=C3
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C21H23N3O2
Computed by PubChem 2.2 (PubChem release 2021.10.14)
1048973-47-2
1104302-26-2
- MDA19
- N'-((3Z)-1-(1-hexyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene)benzohydrazide
- 1048973-47-2
- MDA 19
- N'-(1-Hexyl-2-oxoindolin-3-ylidene)benzohydrazide
- MDA-19
- X83OI5CX2U
- N'-[(3Z)-1-Hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
- CHEMBL457185
- N-[(Z)-(1-hexyl-2-oxoindol-3-ylidene)amino]benzamide
- N'-((3Z)-1-Hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)benzohydrazide
- Benzoic acid, (2Z)-2-(1-hexyl-1,2-dihydro-2-oxo-3H-indol-3-ylidene)hydrazide
- MDA19
- (2Z)-2-(1-Hexyl-1,2-dihydro-2-oxo-3H-indol-3-ylidene) Hydrazide Benzoic Acid
- BZO-HEXOXIZID
- MDA 19 (Standard)
- UNII-X83OI5CX2U
- SCHEMBL13213405
- ZGQHMZCITJHYOW-QOCHGBHMSA-N
- DTXSID201029871
- DTXSID401345281
- BZO-HEXOXIZID [NFLIS-DRUG]
- BCP22008
- BDBM50273032
- HY-15451R
- AKOS016007826
- AKOS024458033
- BCP9000900
- CS-0959
- CID 25034599
- DA-75379
- HY-15451
- MS-25397
- NS00016766
- F84870
- J-001288
- Q6715116
- N'-(1-Hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)benzohydrazide
- N''-[(3Z)-1-(1-Hexyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazide
- N'-[(3z)-1-(1-hexyl)-2-oxo-1,2-dihydro-3h-indol-3-ylidene]-benzohydrazide
- 1104302-26-2
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
349.4 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
XLogP3-AA
Property Value
5.9
Reference
Computed by XLogP3 3.0 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
349.17902698 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
349.17902698 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
67 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
26
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
476
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
NIST Number
386023
Library
Main library
Total Peaks
67
m/z Top Peak
244
m/z 2nd Highest
105
m/z 3rd Highest
77
Thumbnail
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Same Parent, Exact Count
Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
- ChEMBLLICENSEAccess to the web interface of ChEMBL is made under the EBI's Terms of Use (http://www.ebi.ac.uk/Information/termsofuse.html). The ChEMBL data is made available on a Creative Commons Attribution-Share Alike 3.0 Unported License (http://creativecommons.org/licenses/by-sa/3.0/).http://www.ebi.ac.uk/Information/termsofuse.htmlChEMBL Protein Target Treehttps://www.ebi.ac.uk/chembl/g/#browse/targets
- ChemIDplusChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxN'-[(3Z)-1-Hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene]benzohydrazidehttps://comptox.epa.gov/dashboard/DTXSID201029871N'-(1-Hexyl-2-oxo-1,2-dihydro-3H-indol-3-ylidene)benzohydrazidehttps://comptox.epa.gov/dashboard/DTXSID401345281CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- FDA Global Substance Registration System (GSRS)LICENSEUnless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.https://www.fda.gov/about-fda/about-website/website-policies#linking
- Comparative Toxicogenomics Database (CTD)LICENSEIt is to be used only for research and educational purposes. Any reproduction or use for commercial purpose is prohibited without the prior express written permission of NC State University.http://ctdbase.org/about/legal.jspN'-((3Z)-1-(1-hexyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene)benzohydrazidehttps://ctdbase.org/detail.go?type=chem&acc=C550670
- Therapeutic Target Database (TTD)
- Crystallography Open Database (COD)LICENSEAll data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License. Users of the data should acknowledge the original authors of the structural data.https://creativecommons.org/publicdomain/zero/1.0/
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law
- Springer Nature
- WikidataN'-(1-Hexyl-2-oxoindolin-3-ylidene)benzohydrazidehttps://www.wikidata.org/wiki/Q126674385
- Wikipedia
- PubChem
- Medical Subject Headings (MeSH)LICENSEWorks produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.https://www.nlm.nih.gov/copyright.htmlN'-((3Z)-1-(1-hexyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene)benzohydrazidehttps://www.ncbi.nlm.nih.gov/mesh/67550670
- NORMAN Suspect List ExchangeLICENSEData: CC-BY 4.0; Code (hosted by ECI, LCSB): Artistic-2.0https://creativecommons.org/licenses/by/4.0/NORMAN Suspect List Exchange Classificationhttps://www.norman-network.com/nds/SLE/
- MolGenieMolGenie Organic Chemistry Ontologyhttps://github.com/MolGenie/ontology/
- NCBI
CONTENTS