N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide

C19H19N3O4 — CID 135411841

IUPACN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C19H19N3O4/c1-26-16-7-8-17(23)14(11-16)12-20-21-19(25)13-4-2-5-15(10-13)22-9-3-6-18(22)24/h2,4-5,7-8,10-12,23H,3,6,9H2,1H3,(H,21,25)/b20-12+
InChIKeyZCLJKTQQCCGDAE-UDWIEESQSA-N
MW353.38 g/mol
LogP2.29
Rot. Bonds5

About N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 135411841) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID135411841
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1ccc(O)c(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)c1
InChIInChI=1S/C19H19N3O4/c1-26-16-7-8-17(23)14(11-16)12-20-21-19(25)13-4-2-5-15(10-13)22-9-3-6-18(22)24/h2,4-5,7-8,10-12,23H,3,6,9H2,1H3,(H,21,25)/b20-12+
InChIKeyZCLJKTQQCCGDAE-UDWIEESQSA-N
XLogP2.29
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.29
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

4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid (3-methoxy-benzylidene)-hydrazide
CID 6898294
(3E)-3-[(E)-(2-hydroxy-5-methoxyphenyl)methylidenehydrazinylidene]-1H-indol-2-one
CID 135519990
N'-(2-hydroxy-5-methoxybenzylidene)-4-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 135403111
N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylidene]-4-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 135478328
N''-[(E)-(3-methoxy-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-oxidanylidene-1H-quinoline-4-carbohydrazide
CID 135519979
4-(2-Oxo-pyrrolidin-1-yl)-benzoic acid (4-methoxy-benzylidene)-hydrazide
CID 5331402
N'-(3-methoxybenzylidene)-3-(2-oxo-1-pyrrolidinyl)benzohydrazide
CID 5337751
4-[(2E)-2-(2-hydroxy-5-methoxybenzylidene)hydrazino]-N-(3-methylphenyl)-4-oxobutanamide
CID 135403927
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-3-(2-oxopyrrolidin-1-yl)benzohydrazide
CID 135411842
N-(3-{N'-[(E)-(4-Hydroxy-3-methoxyphenyl)methylidene]hydrazinecarbonyl}phenyl)benzamide
CID 135693604
4-[(2E)-2-(2-hydroxy-5-methoxybenzylidene)hydrazino]-N-(4-methylphenyl)-4-oxobutanamide
CID 135752415
N-(4-Fluorophenyl)-3-{N'-[(E)-(2-hydroxy-5-methoxyphenyl)methylidene]hydrazinecarbonyl}propanamide
CID 135821508

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 135411841) is N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is COc1ccc(O)c(/C=N/NC(=O)c2cccc(N3CCCC3=O)c2)c1.
What is the InChIKey of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is ZCLJKTQQCCGDAE-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-26-16-7-8-17(23)14(11-16)12-20-21-19(25)13-4-2-5-15(10-13)22-9-3-6-18(22)24/h2,4-5,7-8,10-12,23H,3,6,9H2,1H3,(H,21,25)/b20-12+.
What are the key properties of N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 353.38 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 135411841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).