methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate

C19H20N2O4 — CID 4266785

IUPACmethyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-13-4-9-17(10-14(13)2)25-12-18(22)21-20-11-15-5-7-16(8-6-15)19(23)24-3/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeyPZTXCXOBQPSLCJ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.62
Rot. Bonds6

About methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate

methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 4266785) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
PubChem CID4266785
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Namemethyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccc(C=NNC(=O)COc2ccc(C)c(C)c2)cc1
InChIInChI=1S/C19H20N2O4/c1-13-4-9-17(10-14(13)2)25-12-18(22)21-20-11-15-5-7-16(8-6-15)19(23)24-3/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeyPZTXCXOBQPSLCJ-UHFFFAOYSA-N
XLogP2.62
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.62
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'}

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Related Compounds

2-(3,4-dimethylphenoxy)-N-[(4-methylphenyl)methylideneamino]acetamide
CID 71950738
methyl 4-[[[2-(4-iodophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 1381755
methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 2303785
N-[(Z)-(4-acetamidophenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 9316133
N-[(E)-(3,4-dimethylphenyl)methylideneamino]-2-[4-[2-[(2E)-2-[(3,4-dimethylphenyl)methylidene]hydrazinyl]-2-oxoethoxy]phenoxy]acetamide
CID 89119467
N-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 5393475
N-[(3,4-dimethoxyphenyl)methylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 689639
2-(3,4-dimethylphenoxy)-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 9316162
methyl 4-[(E)-[[2-(2,3,6-trimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 6894994
methyl 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9242023
4-[(E)-[[2-(4-bromo-3-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190233
[4-[(Z)-[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6258264

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate (CID 4266785) is methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccc(C=NNC(=O)COc2ccc(C)c(C)c2)cc1.
What is the InChIKey of methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is PZTXCXOBQPSLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-13-4-9-17(10-14(13)2)25-12-18(22)21-20-11-15-5-7-16(8-6-15)19(23)24-3/h4-11H,12H2,1-3H3,(H,21,22).
What are the key properties of methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 340.38 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[[2-(3,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 4266785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).