[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate

C21H24N2O5 — CID 40621307

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O5/c1-21(2,3)16-9-11-17(12-10-16)27-14-19(25)28-13-18(24)22-23-20(26)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyOSXBGTZDIOKWKC-UHFFFAOYSA-N
MW384.43 g/mol
LogP2.37
Rot. Bonds6

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate (PubChem CID 40621307) has the molecular formula C21H24N2O5 and a molecular weight of 384.43 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
PubChem CID40621307
Molecular FormulaC21H24N2O5
Molecular Weight384.43 g/mol
Exact Mass384.17
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O5/c1-21(2,3)16-9-11-17(12-10-16)27-14-19(25)28-13-18(24)22-23-20(26)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyOSXBGTZDIOKWKC-UHFFFAOYSA-N
XLogP2.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-tert-butyl-N'-[2-(4-tert-butylphenoxy)acetyl]benzohydrazide
CID 3311747
N'-[3-(4-tert-butylphenoxy)propanoyl]benzohydrazide
CID 9168927
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-tert-butylbenzoate
CID 2489555
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844494
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(3-bromophenoxy)acetate
CID 7694609
4-tert-butyl-N-[4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 4513398
N'-[2-(4-tert-butylphenoxy)acetyl]-4-prop-2-enoxybenzohydrazide
CID 4945083
[2-(2-ethoxyanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328128
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2-(4-tert-butylphenoxy)acetate
CID 9328142
[2-[2-(3-nitrobenzoyl)hydrazinyl]-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate
CID 16796691
[2-(tert-butylamino)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2599347
methyl 4-[[2-[2-(4-tert-butylphenoxy)acetyl]oxyacetyl]amino]benzoate
CID 7855555

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate (CID 40621307) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate is CC(C)(C)c1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccccc2)cc1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate?
The InChIKey is OSXBGTZDIOKWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O5/c1-21(2,3)16-9-11-17(12-10-16)27-14-19(25)28-13-18(24)22-23-20(26)15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,22,24)(H,23,26).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate has a molecular weight of 384.43 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate is sourced from PubChem (CID 40621307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).