N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

C19H19N3O4 — CID 135411527

IUPACN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)C2C(=O)NCC2c2ccccc2)c1O
InChIInChI=1S/C19H19N3O4/c1-26-15-9-5-8-13(17(15)23)10-21-22-19(25)16-14(11-20-18(16)24)12-6-3-2-4-7-12/h2-10,14,16,23H,11H2,1H3,(H,20,24)(H,22,25)/b21-10-
InChIKeyPNVSTRHMYMCWLJ-FBHDLOMBSA-N
MW353.38 g/mol
LogP1.38
Rot. Bonds5

About N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide (PubChem CID 135411527) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
PubChem CID135411527
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESCOc1cccc(/C=N\NC(=O)C2C(=O)NCC2c2ccccc2)c1O
InChIInChI=1S/C19H19N3O4/c1-26-15-9-5-8-13(17(15)23)10-21-22-19(25)16-14(11-20-18(16)24)12-6-3-2-4-7-12/h2-10,14,16,23H,11H2,1H3,(H,20,24)(H,22,25)/b21-10-
InChIKeyPNVSTRHMYMCWLJ-FBHDLOMBSA-N
XLogP1.38
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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-Cyclohexyl-2-(4-hydroxy-3-methoxy-benzylidene-hydrazinocarbonyl)-acetamide
CID 135411910
N-[1-(2-Hydroxy-3-methoxy-phenyl)-meth-(E)-ylidene-hydrazinocarbonylmethyl]-3-phenyl-propionamide
CID 135549589
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[2-(3-methoxybenzylidene)hydrazino]-3-oxopropanamide
CID 5335751
N'-(3-hydroxy-4-methoxybenzylidene)-2-oxo-4-phenyl-3-pyrrolidinecarbohydrazide
CID 5904739
3-[2-(2,3-dimethoxybenzylidene)hydrazino]-3-oxo-N-(2-phenylethyl)propanamide
CID 9648941
N'-(4-hydroxy-3,5-dimethoxybenzylidene)-2-oxo-4-phenyl-3-pyrrolidinecarbohydrazide
CID 135411470
N-[(1Z)-2-(4-hydroxy-3-methoxyphenyl)-1-azavinyl]-N'-(2-phenylethyl)propane-1, 3-diamide
CID 135411907
N-[(1Z)-2-(3-ethoxy-4-hydroxyphenyl)-1-azavinyl]-N'-(2-phenylethyl)propane-1,3-diamide
CID 135411908
N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-4-(4-methoxy-3-methylphenyl)butanohydrazide
CID 135420199
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylidene]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetohydrazide
CID 135517030
N-({N'-[(E)-(2-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-2,2-diphenylacetamide
CID 135549586
3-[2-(3,4-dimethoxybenzylidene)hydrazino]-3-oxo-N-(2-phenylethyl)propanamide
CID 9648812

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide (CID 135411527) is N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is COc1cccc(/C=N\NC(=O)C2C(=O)NCC2c2ccccc2)c1O.
What is the InChIKey of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is PNVSTRHMYMCWLJ-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-26-15-9-5-8-13(17(15)23)10-21-22-19(25)16-14(11-20-18(16)24)12-6-3-2-4-7-12/h2-10,14,16,23H,11H2,1H3,(H,20,24)(H,22,25)/b21-10-.
What are the key properties of N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 1.38, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 135411527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).