propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate

C26H26N2O5 — CID 4927289

IUPACpropyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C26H26N2O5/c1-2-16-31-26(30)21-12-14-23(15-13-21)32-19-25(29)28-27-17-22-10-6-7-11-24(22)33-18-20-8-4-3-5-9-20/h3-15,17H,2,16,18-19H2,1H3,(H,28,29)
InChIKeyNJNPUCYYMHWCSF-UHFFFAOYSA-N
MW446.50 g/mol
LogP4.36
Rot. Bonds11

About propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate

propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate (PubChem CID 4927289) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate
PubChem CID4927289
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Namepropyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1
InChIInChI=1S/C26H26N2O5/c1-2-16-31-26(30)21-12-14-23(15-13-21)32-19-25(29)28-27-17-22-10-6-7-11-24(22)33-18-20-8-4-3-5-9-20/h3-15,17H,2,16,18-19H2,1H3,(H,28,29)
InChIKeyNJNPUCYYMHWCSF-UHFFFAOYSA-N
XLogP4.36
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 54.36
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

2-naphthalen-2-yloxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6041934
N-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 135679375
ethyl 4-[2-[2-[(2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4932374
2-(3-methyl-4-propan-2-ylphenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190479
N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]hexadecanamide
CID 51060625
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
2-(4-ethoxyanilino)-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6118655
2-(3-bromophenoxy)-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 19190475
N-(4-ethoxyphenyl)-N'-[(2-phenylmethoxyphenyl)methylideneamino]propanediamide
CID 4561777
propyl 4-[2-[2-[(5-methylthiophen-2-yl)methylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927244
propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate
CID 4927337
2-(2-bromo-4-ethylphenoxy)-N-[(2-phenylmethoxyphenyl)methylideneamino]acetamide
CID 4628201

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate?
The IUPAC name of propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate (CID 4927289) is propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate.
What is the SMILES notation for propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate?
The canonical SMILES for propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate is CCCOC(=O)c1ccc(OCC(=O)NN=Cc2ccccc2OCc2ccccc2)cc1.
What is the InChIKey of propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate?
The InChIKey is NJNPUCYYMHWCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-2-16-31-26(30)21-12-14-23(15-13-21)32-19-25(29)28-27-17-22-10-6-7-11-24(22)33-18-20-8-4-3-5-9-20/h3-15,17H,2,16,18-19H2,1H3,(H,28,29).
What are the key properties of propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate?
propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate has a molecular weight of 446.50 g/mol, XLogP of 4.36, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate is sourced from PubChem (CID 4927289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).