methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate

C18H18N2O5 — CID 2303785

IUPACmethyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18N2O5/c1-23-15-7-9-16(10-8-15)25-12-17(21)20-19-11-13-3-5-14(6-4-13)18(22)24-2/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyYYOMETKURDUXAI-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.01
Rot. Bonds7

About methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate

methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 2303785) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
PubChem CID2303785
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namemethyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)COc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H18N2O5/c1-23-15-7-9-16(10-8-15)25-12-17(21)20-19-11-13-3-5-14(6-4-13)18(22)24-2/h3-11H,12H2,1-2H3,(H,20,21)
InChIKeyYYOMETKURDUXAI-UHFFFAOYSA-N
XLogP2.01
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate with MolForge

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Related Compounds

[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6114136
methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 1381755
[4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-ethoxybenzoate
CID 3809444
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 6271641
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 4266785
2-(4-methoxyphenoxy)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 9315962
2-(4-methoxyphenoxy)-N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]acetamide
CID 5426289
N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4236788
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-(4-propylphenoxy)acetamide
CID 6386184
methyl 4-[[[4-(4-methoxyanilino)-4-oxobutanoyl]hydrazinylidene]methyl]benzoate
CID 4599912
2-[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-N-phenylacetamide
CID 5429334

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate (CID 2303785) is methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(C=NNC(=O)COc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is YYOMETKURDUXAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-23-15-7-9-16(10-8-15)25-12-17(21)20-19-11-13-3-5-14(6-4-13)18(22)24-2/h3-11H,12H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 342.35 g/mol, XLogP of 2.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 2303785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).