N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

C24H23N3O4 — CID 135549586

IUPACN-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C24H23N3O4/c1-31-20-14-8-13-19(23(20)29)15-26-27-21(28)16-25-24(30)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,22,29H,16H2,1H3,(H,25,30)(H,27,28)/b26-15+
InChIKeyYTOULNNBYOSGMM-CVKSISIWSA-N
MW417.47 g/mol
LogP2.80
Rot. Bonds8

About N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (PubChem CID 135549586) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
PubChem CID135549586
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
SMILESCOc1cccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C24H23N3O4/c1-31-20-14-8-13-19(23(20)29)15-26-27-21(28)16-25-24(30)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,22,29H,16H2,1H3,(H,25,30)(H,27,28)/b26-15+
InChIKeyYTOULNNBYOSGMM-CVKSISIWSA-N
XLogP2.80
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-[2-[(2Z)-2-[(3-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
CID 5613985
2-(azepan-1-yl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-oxoacetohydrazide
CID 135457608
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135549589
N'-(3-hydroxy-4-methoxybenzylidene)-2-oxo-4-phenyl-3-pyrrolidinecarbohydrazide
CID 5904739
N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-hydroxy-2,2-diphenylacetohydrazide
CID 6882140
N'-(2-hydroxy-3-methoxybenzylidene)-2-oxo-4-phenyl-3-pyrrolidinecarbohydrazide
CID 135411527
N-[(1Z)-2-(4-hydroxy-3-methoxyphenyl)-1-azavinyl]-N'-(2-phenylethyl)propane-1, 3-diamide
CID 135411907
N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-4-(4-methoxy-3-methylphenyl)butanohydrazide
CID 135420199
N'-(2-hydroxy-3-methoxybenzylidene)[1,1'-biphenyl]-4-carbohydrazide
CID 135490325
N'-(4-hydroxy-3-methoxybenzylidene)-9H-xanthene-9-carbohydrazide
CID 135510990
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetohydrazide
CID 135517030
(Z)-N-(2-((E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl)-2-oxoethyl)-3-(4-methoxyphenyl)acrylamide
CID 135549607

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The IUPAC name of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide (CID 135549586) is N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide.
What is the SMILES notation for N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The canonical SMILES for N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is COc1cccc(/C=N/NC(=O)CNC(=O)C(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
The InChIKey is YTOULNNBYOSGMM-CVKSISIWSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-31-20-14-8-13-19(23(20)29)15-26-27-21(28)16-25-24(30)22(17-9-4-2-5-10-17)18-11-6-3-7-12-18/h2-15,22,29H,16H2,1H3,(H,25,30)(H,27,28)/b26-15+.
What are the key properties of N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide?
N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide has a molecular weight of 417.47 g/mol, XLogP of 2.80, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2E)-2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is sourced from PubChem (CID 135549586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).