2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide

C25H22N4O3 — CID 4312042

IUPAC2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(C=NN=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C25H22N4O3/c1-17-7-11-19(12-8-17)27-23(30)16-29-22-6-4-3-5-21(22)24(25(29)31)28-26-15-18-9-13-20(32-2)14-10-18/h3-15H,16H2,1-2H3,(H,27,30)
InChIKeyNOSKUNLFHVWPTB-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.81
Rot. Bonds6

About 2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide

2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide (PubChem CID 4312042) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
PubChem CID4312042
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
SMILESCOc1ccc(C=NN=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1
InChIInChI=1S/C25H22N4O3/c1-17-7-11-19(12-8-17)27-23(30)16-29-22-6-4-3-5-21(22)24(25(29)31)28-26-15-18-9-13-20(32-2)14-10-18/h3-15H,16H2,1-2H3,(H,27,30)
InChIKeyNOSKUNLFHVWPTB-UHFFFAOYSA-N
XLogP3.81
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_isatin(189)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-2-[3-[(3-nitrophenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]acetamide
CID 4563663
1-benzyl-3-[(4-methoxyphenyl)methylidenehydrazinylidene]indol-2-one
CID 5116562
2-[(3E)-3-(diphenylhydrazinylidene)-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 6108522
2-[(3Z)-3-[2-(4-methoxyphenyl)-6-oxo-[1,3]thiazolo[3,2-b][1,2,4]triazol-5-ylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide
CID 18804371
2-[(3E)-3-(2,4-dioxo-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(4-methoxyphenyl)acetamide
CID 50741120
(3E)-1-methyl-3-[(Z)-(4-methylphenyl)methylidenehydrazinylidene]indol-2-one
CID 9214035
[2-(4-methoxyanilino)-2-oxoethyl] 2-(2,3-dioxoindol-1-yl)acetate
CID 7804539
2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide
CID 71833687
2-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(4-methoxyphenyl)acetamide
CID 7442476
N-(4-methoxyphenyl)-2-[(4Z)-4-[[4-(4-methylphenyl)sulfanylphenyl]methylidene]-2,5-dioxoimidazolidin-1-yl]acetamide
CID 126229568
2-[(15R,19R)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-(4-methoxyphenyl)acetamide
CID 1472554
methyl 5-[2-(4-methoxyanilino)-2-oxoethyl]-6-oxobenzo[b][1,4]benzothiazepine-3-carboxylate
CID 22575476

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide (CID 4312042) is 2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide is COc1ccc(C=NN=C2C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1.
What is the InChIKey of 2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is NOSKUNLFHVWPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-17-7-11-19(12-8-17)27-23(30)16-29-22-6-4-3-5-21(22)24(25(29)31)28-26-15-18-9-13-20(32-2)14-10-18/h3-15H,16H2,1-2H3,(H,27,30).
What are the key properties of 2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide?
2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 426.48 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-methoxyphenyl)methylidenehydrazinylidene]-2-oxoindol-1-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 4312042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).