propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate

C24H24N2O6 — CID 4927665

IUPACpropyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H24N2O6/c1-2-13-30-24(29)18-8-10-20(11-9-18)31-15-22(27)25-26-23(28)16-32-21-12-7-17-5-3-4-6-19(17)14-21/h3-12,14H,2,13,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyPAADFUXTLDVDJE-UHFFFAOYSA-N
MW436.46 g/mol
LogP3.01
Rot. Bonds9

About propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate

propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate (PubChem CID 4927665) has the molecular formula C24H24N2O6 and a molecular weight of 436.46 g/mol. Its IUPAC name is propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate
PubChem CID4927665
Molecular FormulaC24H24N2O6
Molecular Weight436.46 g/mol
Exact Mass436.16
IUPAC Namepropyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C24H24N2O6/c1-2-13-30-24(29)18-8-10-20(11-9-18)31-15-22(27)25-26-23(28)16-32-21-12-7-17-5-3-4-6-19(17)14-21/h3-12,14H,2,13,15-16H2,1H3,(H,25,27)(H,26,28)
InChIKeyPAADFUXTLDVDJE-UHFFFAOYSA-N
XLogP3.01
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.46
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 4-[2-[2-[(E)-3-naphthalen-1-ylprop-2-enoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 6233056
2-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 4927617
propyl 4-[2-oxo-2-[2-[4-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]carbamoyl]cyclohexanecarbonyl]hydrazinyl]ethoxy]benzoate
CID 4928350
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
propyl 4-[2-[2-[2-(4-chlorophenyl)acetyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927799
propyl 4-[[(2-naphthalen-2-yloxyacetyl)amino]carbamothioylamino]-4-oxobutanoate
CID 4933687
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962
4-methyl-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 809232
N'-(2-naphthalen-2-yloxyacetyl)octanehydrazide
CID 4958774
propyl 4-[2-oxo-2-[2-(1-phenylpropylidene)hydrazinyl]ethoxy]benzoate
CID 4927468
propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17122909
propyl 4-[[2-(4-ethylphenoxy)acetyl]amino]benzoate
CID 2274683

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate?
The IUPAC name of propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate (CID 4927665) is propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate?
The canonical SMILES for propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate is CCCOC(=O)c1ccc(OCC(=O)NNC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate?
The InChIKey is PAADFUXTLDVDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O6/c1-2-13-30-24(29)18-8-10-20(11-9-18)31-15-22(27)25-26-23(28)16-32-21-12-7-17-5-3-4-6-19(17)14-21/h3-12,14H,2,13,15-16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate?
propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate has a molecular weight of 436.46 g/mol, XLogP of 3.01, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 4927665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).