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

C18H18N2O5 — CID 9217540

IUPACmethyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\NC(=O)COc1ccccc1OC
InChIInChI=1S/C18H18N2O5/c1-23-15-9-5-6-10-16(15)25-12-17(21)20-19-11-13-7-3-4-8-14(13)18(22)24-2/h3-11H,12H2,1-2H3,(H,20,21)/b19-11-
InChIKeyHXTDJJADFMQBQA-ODLFYWEKSA-N
MW342.35 g/mol
LogP2.01
Rot. Bonds7

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

methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 9217540) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
PubChem CID9217540
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namemethyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\NC(=O)COc1ccccc1OC
InChIInChI=1S/C18H18N2O5/c1-23-15-9-5-6-10-16(15)25-12-17(21)20-19-11-13-7-3-4-8-14(13)18(22)24-2/h3-11H,12H2,1-2H3,(H,20,21)/b19-11-
InChIKeyHXTDJJADFMQBQA-ODLFYWEKSA-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'}

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Related Compounds

methyl 2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217614
N-[(E)-(2,3-dihydroxyphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135702128
2-(2-methoxyphenoxy)-N-[(E)-(2-propoxyphenyl)methylideneamino]acetamide
CID 6872121
methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9218105
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5414113
2-(2-methoxyphenoxy)-N-[(Z)-quinolin-8-ylmethylideneamino]acetamide
CID 5413897
2-(2,6-dimethylphenoxy)-N-[(Z)-(2-methoxyphenyl)methylideneamino]acetamide
CID 5420735
2-(2-fluorophenoxy)-N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 135852687
2-[2-[2-[(2-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzamide
CID 3482224
N-[(Z)-(2-methoxyphenyl)methylideneamino]-2-(2,4,6-trimethylphenoxy)acetamide
CID 5407844
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(2-propan-2-ylphenoxy)acetamide
CID 136914835
[4-[[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4249598

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate (CID 9217540) is methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccccc1/C=N\NC(=O)COc1ccccc1OC.
What is the InChIKey of methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is HXTDJJADFMQBQA-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-23-15-9-5-6-10-16(15)25-12-17(21)20-19-11-13-7-3-4-8-14(13)18(22)24-2/h3-11H,12H2,1-2H3,(H,20,21)/b19-11-.
What are the key properties of methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
methyl 2-[(Z)-[[2-(2-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 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 9217540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).