N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide

C19H19N3O4 — CID 135478328

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)ccc1O
InChIInChI=1S/C19H19N3O4/c1-26-17-11-13(4-9-16(17)23)12-20-21-19(25)14-5-7-15(8-6-14)22-10-2-3-18(22)24/h4-9,11-12,23H,2-3,10H2,1H3,(H,21,25)/b20-12+
InChIKeyBAFOHJMXRKRXEO-UDWIEESQSA-N
MW353.38 g/mol
LogP2.29
Rot. Bonds5

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 135478328) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID135478328
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOc1cc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)ccc1O
InChIInChI=1S/C19H19N3O4/c1-26-17-11-13(4-9-16(17)23)12-20-21-19(25)14-5-7-15(8-6-14)22-10-2-3-18(22)24/h4-9,11-12,23H,2-3,10H2,1H3,(H,21,25)/b20-12+
InChIKeyBAFOHJMXRKRXEO-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_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 135478328) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide is COc1cc(/C=N/NC(=O)c2ccc(N3CCCC3=O)cc2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is BAFOHJMXRKRXEO-UDWIEESQSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-26-17-11-13(4-9-16(17)23)12-20-21-19(25)14-5-7-15(8-6-14)22-10-2-3-18(22)24/h4-9,11-12,23H,2-3,10H2,1H3,(H,21,25)/b20-12+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(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)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 135478328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).