[3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate

C23H20N2O4 — CID 1001770

IUPAC[3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
SMILESCOc1ccc(C(=O)NN=Cc2cccc(OC(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H20N2O4/c1-16-6-8-19(9-7-16)23(27)29-21-5-3-4-17(14-21)15-24-25-22(26)18-10-12-20(28-2)13-11-18/h3-15H,1-2H3,(H,25,26)
InChIKeyYXFZDYSTYWBTLC-UHFFFAOYSA-N
MW388.42 g/mol
LogP3.99
Rot. Bonds6

About [3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate

[3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate (PubChem CID 1001770) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is [3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate.

Molecular Properties

Compound Name[3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
PubChem CID1001770
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name[3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
SMILESCOc1ccc(C(=O)NN=Cc2cccc(OC(=O)c3ccc(C)cc3)c2)cc1
InChIInChI=1S/C23H20N2O4/c1-16-6-8-19(9-7-16)23(27)29-21-5-3-4-17(14-21)15-24-25-22(26)18-10-12-20(28-2)13-11-18/h3-15H,1-2H3,(H,25,26)
InChIKeyYXFZDYSTYWBTLC-UHFFFAOYSA-N
XLogP3.99
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

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Related Compounds

[3-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 3728498
[3-[(E)-[[4-[(4-methylphenyl)sulfonylamino]benzoyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 51061566
[3-[[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 5223092
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
[2-methoxy-4-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 1002031
[2-methoxy-4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 4248850
[3-[(carbamothioylhydrazinylidene)methyl]phenyl] 4-methoxybenzoate
CID 958120
4-methyl-N-[(Z)-(3-propan-2-yloxyphenyl)methylideneamino]benzamide
CID 110509128
[3-[(Z)-(carbamothioylhydrazinylidene)methyl]phenyl] 4-methylbenzoate
CID 5426343
N-[(Z)-(3-hydroxyphenyl)methylideneamino]-4-methoxybenzamide
CID 5418227
[3-[[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4175696
4-hydroxy-N-[(E)-(3-methoxyphenyl)methylideneamino]benzamide
CID 139088138

Frequently Asked Questions

What is the IUPAC name of [3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate?
The IUPAC name of [3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate (CID 1001770) is [3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate.
What is the SMILES notation for [3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate?
The canonical SMILES for [3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate is COc1ccc(C(=O)NN=Cc2cccc(OC(=O)c3ccc(C)cc3)c2)cc1.
What is the InChIKey of [3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate?
The InChIKey is YXFZDYSTYWBTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-16-6-8-19(9-7-16)23(27)29-21-5-3-4-17(14-21)15-24-25-22(26)18-10-12-20(28-2)13-11-18/h3-15H,1-2H3,(H,25,26).
What are the key properties of [3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate?
[3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate has a molecular weight of 388.42 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(4-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate is sourced from PubChem (CID 1001770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).