[2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate

C25H24N2O6 — CID 6871634

IUPAC[2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C25H24N2O6/c1-16-9-11-17(12-10-16)24(28)27-26-15-18-7-5-6-8-20(18)33-25(29)19-13-21(30-2)23(32-4)22(14-19)31-3/h5-15H,1-4H3,(H,27,28)/b26-15+
InChIKeyXEXVAAYADAETLO-CVKSISIWSA-N
MW448.48 g/mol
LogP4.00
Rot. Bonds8

About [2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate

[2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate (PubChem CID 6871634) has the molecular formula C25H24N2O6 and a molecular weight of 448.48 g/mol. Its IUPAC name is [2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
PubChem CID6871634
Molecular FormulaC25H24N2O6
Molecular Weight448.48 g/mol
Exact Mass448.16
IUPAC Name[2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate
SMILESCOc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C25H24N2O6/c1-16-9-11-17(12-10-16)24(28)27-26-15-18-7-5-6-8-20(18)33-25(29)19-13-21(30-2)23(32-4)22(14-19)31-3/h5-15H,1-4H3,(H,27,28)/b26-15+
InChIKeyXEXVAAYADAETLO-CVKSISIWSA-N
XLogP4.00
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate?
The IUPAC name of [2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate (CID 6871634) is [2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate.
What is the SMILES notation for [2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate?
The canonical SMILES for [2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate is COc1cc(C(=O)Oc2ccccc2/C=N/NC(=O)c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of [2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate?
The InChIKey is XEXVAAYADAETLO-CVKSISIWSA-N. The full InChI is InChI=1S/C25H24N2O6/c1-16-9-11-17(12-10-16)24(28)27-26-15-18-7-5-6-8-20(18)33-25(29)19-13-21(30-2)23(32-4)22(14-19)31-3/h5-15H,1-4H3,(H,27,28)/b26-15+.
What are the key properties of [2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate?
[2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate has a molecular weight of 448.48 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4,5-trimethoxybenzoate is sourced from PubChem (CID 6871634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).