N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

C20H20IN3O4 — CID 135620135

IUPACN-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)C2C(=O)NCC2c2ccccc2)cc(I)c1O
InChIInChI=1S/C20H20IN3O4/c1-2-28-16-9-12(8-15(21)18(16)25)10-23-24-20(27)17-14(11-22-19(17)26)13-6-4-3-5-7-13/h3-10,14,17,25H,2,11H2,1H3,(H,22,26)(H,24,27)/b23-10-
InChIKeyXMZNSYMMUJFINW-RMORIDSASA-N
MW493.30 g/mol
LogP2.38
Rot. Bonds6

About N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide

N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide (PubChem CID 135620135) has the molecular formula C20H20IN3O4 and a molecular weight of 493.30 g/mol. Its IUPAC name is N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
PubChem CID135620135
Molecular FormulaC20H20IN3O4
Molecular Weight493.30 g/mol
Exact Mass493.05
IUPAC NameN-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
SMILESCCOc1cc(/C=N\NC(=O)C2C(=O)NCC2c2ccccc2)cc(I)c1O
InChIInChI=1S/C20H20IN3O4/c1-2-28-16-9-12(8-15(21)18(16)25)10-23-24-20(27)17-14(11-22-19(17)26)13-6-4-3-5-7-13/h3-10,14,17,25H,2,11H2,1H3,(H,22,26)(H,24,27)/b23-10-
InChIKeyXMZNSYMMUJFINW-RMORIDSASA-N
XLogP2.38
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.30
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135757445
(3R,4R)-N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135677756
(3S,4R)-2-oxo-4-phenyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 98233687
(3S,4S)-N-[(E)-(3-ethoxy-2-hydroxy-5-nitrophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135714299
(3R,4S)-N-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 5437066
(3S,4S)-N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 7332671
(3R,4R)-N-[(3-hydroxy-4-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 7462912
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135642757
(3S,4R)-2-oxo-4-phenyl-N-[(3-phenylmethoxyphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 7332724
(3R,4S)-N-[(E)-(3,4-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 38032931
(3S,4R)-2-oxo-4-phenyl-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]pyrrolidine-3-carboxamide
CID 35796860
(3S,4R)-N-[(E)-(5-chloro-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 135748323

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide (CID 135620135) is N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is CCOc1cc(/C=N\NC(=O)C2C(=O)NCC2c2ccccc2)cc(I)c1O.
What is the InChIKey of N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
The InChIKey is XMZNSYMMUJFINW-RMORIDSASA-N. The full InChI is InChI=1S/C20H20IN3O4/c1-2-28-16-9-12(8-15(21)18(16)25)10-23-24-20(27)17-14(11-22-19(17)26)13-6-4-3-5-7-13/h3-10,14,17,25H,2,11H2,1H3,(H,22,26)(H,24,27)/b23-10-.
What are the key properties of N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide?
N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide has a molecular weight of 493.30 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide is sourced from PubChem (CID 135620135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).