propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate

C21H24N2O4 — CID 4927468

IUPACpropyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NN=C(CC)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-3-14-26-21(25)17-10-12-18(13-11-17)27-15-20(24)23-22-19(4-2)16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3,(H,23,24)
InChIKeyVHZZVYFKBMSNND-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.56
Rot. Bonds9

About propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate

propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate (PubChem CID 4927468) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
PubChem CID4927468
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Namepropyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NN=C(CC)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O4/c1-3-14-26-21(25)17-10-12-18(13-11-17)27-15-20(24)23-22-19(4-2)16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3,(H,23,24)
InChIKeyVHZZVYFKBMSNND-UHFFFAOYSA-N
XLogP3.56
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.56
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

N-[1-(4-methylphenyl)propylideneamino]-2-phenoxyacetamide
CID 3593983
propyl 4-[2-[2-[1-(3-aminophenyl)ethylidene]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927512
2-(4-butan-2-ylphenoxy)-N-[(E)-1-phenylpropylideneamino]acetamide
CID 6389989
2-naphthalen-2-yloxy-N-[(Z)-1-phenylpropylideneamino]acetamide
CID 6534039
2-phenoxy-N-(1-phenylbutylideneamino)acetamide
CID 4504104
propyl 4-[2-[2-(2-methylpropylidene)hydrazinyl]-2-oxoethoxy]benzoate
CID 4927337
propyl 4-[2-oxo-2-[2-[(2-phenylmethoxyphenyl)methylidene]hydrazinyl]ethoxy]benzoate
CID 4927289
propyl 4-[2-(2-cyclooctylidenehydrazinyl)-2-oxoethoxy]benzoate
CID 54786846
propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 4927665
2-(4-chlorophenoxy)-N-[1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 3659742
2-(4-bromophenoxy)-N-[(E)-1-(4-hydroxyphenyl)propylideneamino]acetamide
CID 135560385
2-(4-chlorophenoxy)-N-[1-(4-methylphenyl)propylideneamino]acetamide
CID 5237817

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate?
The IUPAC name of propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate (CID 4927468) is propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate.
What is the SMILES notation for propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate?
The canonical SMILES for propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate is CCCOC(=O)c1ccc(OCC(=O)NN=C(CC)c2ccccc2)cc1.
What is the InChIKey of propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate?
The InChIKey is VHZZVYFKBMSNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-3-14-26-21(25)17-10-12-18(13-11-17)27-15-20(24)23-22-19(4-2)16-8-6-5-7-9-16/h5-13H,3-4,14-15H2,1-2H3,(H,23,24).
What are the key properties of propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate?
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate has a molecular weight of 368.43 g/mol, XLogP of 3.56, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate is sourced from PubChem (CID 4927468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).