N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

C20H21N3O4 — CID 135517030

IUPACN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
SMILESCOc1cccc(/C=N/NC(=O)CN2CC(c3ccccc3)CC2=O)c1O
InChIInChI=1S/C20H21N3O4/c1-27-17-9-5-8-15(20(17)26)11-21-22-18(24)13-23-12-16(10-19(23)25)14-6-3-2-4-7-14/h2-9,11,16,26H,10,12-13H2,1H3,(H,22,24)/b21-11+
InChIKeyUPCKBKIJQBJFIH-SRZZPIQSSA-N
MW367.41 g/mol
LogP1.87
Rot. Bonds6

About N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide

N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide (PubChem CID 135517030) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
PubChem CID135517030
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
SMILESCOc1cccc(/C=N/NC(=O)CN2CC(c3ccccc3)CC2=O)c1O
InChIInChI=1S/C20H21N3O4/c1-27-17-9-5-8-15(20(17)26)11-21-22-18(24)13-23-12-16(10-19(23)25)14-6-3-2-4-7-14/h2-9,11,16,26H,10,12-13H2,1H3,(H,22,24)/b21-11+
InChIKeyUPCKBKIJQBJFIH-SRZZPIQSSA-N
XLogP1.87
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.87
H-Bond Donors ≤ 52
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

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
Oxo-pyrrolidin-1-yl-acetic acid (2,3-dimethoxy-benzylidene)-hydrazide
CID 9591529
N'-(4-hydroxy-3,5-dimethoxybenzylidene)-2-oxo-4-phenyl-3-pyrrolidinecarbohydrazide
CID 135411470
N'-(2-hydroxy-3-methoxybenzylidene)-2-oxo-4-phenyl-3-pyrrolidinecarbohydrazide
CID 135411527
N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-4-(4-methoxy-3-methylphenyl)butanohydrazide
CID 135420199
N'-(2-hydroxy-3-methoxybenzylidene)-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 135446554
3-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 135501956
N-({N'-[(E)-(2-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}methyl)-2,2-diphenylacetamide
CID 135549586
(Z)-N-(2-((E)-2-(2-hydroxy-3-methoxybenzylidene)hydrazinyl)-2-oxoethyl)-3-phenylacrylamide
CID 135735447
N'-(4-hydroxy-3-methoxybenzylidene)-2-oxo-2-(1-pyrrolidinyl)acetohydrazide
CID 135501771

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide (CID 135517030) is N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide is COc1cccc(/C=N/NC(=O)CN2CC(c3ccccc3)CC2=O)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
The InChIKey is UPCKBKIJQBJFIH-SRZZPIQSSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-27-17-9-5-8-15(20(17)26)11-21-22-18(24)13-23-12-16(10-19(23)25)14-6-3-2-4-7-14/h2-9,11,16,26H,10,12-13H2,1H3,(H,22,24)/b21-11+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide?
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 135517030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).