[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate

C19H20N2O4 — CID 7472786

IUPAC[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H20N2O4/c1-12-9-13(2)17(14(3)10-12)19(24)25-11-16(22)20-21-18(23)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyGEKLQVCMSVZJIQ-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.23
Rot. Bonds4

About [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate (PubChem CID 7472786) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate.

Molecular Properties

Compound Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate
PubChem CID7472786
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate
SMILESCc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H20N2O4/c1-12-9-13(2)17(14(3)10-12)19(24)25-11-16(22)20-21-18(23)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23)
InChIKeyGEKLQVCMSVZJIQ-UHFFFAOYSA-N
XLogP2.23
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-[2-[4-(diethylamino)benzoyl]hydrazinyl]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7434489
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-methylbenzoate
CID 2506262
(2-anilino-2-oxoethyl) 2,4,6-trimethylbenzoate
CID 7472995
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-tert-butylbenzoate
CID 2489555
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-methyl-5-(methylamino)-1,2-thiazole-4-carboxylate
CID 27195157
[2-[2-(4-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 8510885
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2545780
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 7472867
[2-[3-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 2,4,6-trimethylbenzoate
CID 42039111
(2-benzamido-2-oxoethyl) 2,5-dimethylbenzoate
CID 2519727
[2-(2-benzoylhydrazinyl)-2-oxoethyl] (E)-but-2-enoate
CID 2507898

Frequently Asked Questions

What is the IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate?
The IUPAC name of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate (CID 7472786) is [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate.
What is the SMILES notation for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate?
The canonical SMILES for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate is Cc1cc(C)c(C(=O)OCC(=O)NNC(=O)c2ccccc2)c(C)c1.
What is the InChIKey of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate?
The InChIKey is GEKLQVCMSVZJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O4/c1-12-9-13(2)17(14(3)10-12)19(24)25-11-16(22)20-21-18(23)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,20,22)(H,21,23).
What are the key properties of [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate?
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate has a molecular weight of 340.38 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-benzoylhydrazinyl)-2-oxoethyl] 2,4,6-trimethylbenzoate is sourced from PubChem (CID 7472786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).