[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate

C23H28N2O7 — CID 55317018

IUPAC[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCOc1ccc(C(=O)NNC(=O)COC(=O)COc2cc(C)ccc2C(C)C)cc1OC
InChIInChI=1S/C23H28N2O7/c1-14(2)17-8-6-15(3)10-19(17)31-13-22(27)32-12-21(26)24-25-23(28)16-7-9-18(29-4)20(11-16)30-5/h6-11,14H,12-13H2,1-5H3,(H,24,26)(H,25,28)
InChIKeyFVBLTSIJHCCRLE-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.52
Rot. Bonds9

About [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate

[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate (PubChem CID 55317018) has the molecular formula C23H28N2O7 and a molecular weight of 444.48 g/mol. Its IUPAC name is [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
PubChem CID55317018
Molecular FormulaC23H28N2O7
Molecular Weight444.48 g/mol
Exact Mass444.19
IUPAC Name[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
SMILESCOc1ccc(C(=O)NNC(=O)COC(=O)COc2cc(C)ccc2C(C)C)cc1OC
InChIInChI=1S/C23H28N2O7/c1-14(2)17-8-6-15(3)10-19(17)31-13-22(27)32-12-21(26)24-25-23(28)16-7-9-18(29-4)20(11-16)30-5/h6-11,14H,12-13H2,1-5H3,(H,24,26)(H,25,28)
InChIKeyFVBLTSIJHCCRLE-UHFFFAOYSA-N
XLogP2.52
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4923561
5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17094394
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
3-iodo-4-methyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 3412471
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4952125
3-bromo-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342893
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839428
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 29345614
N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]-4-pyrrol-1-ylbenzohydrazide
CID 24517670
[2-(3-acetylanilino)-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 7839422
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
2-(2-methoxyphenyl)-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]acetohydrazide
CID 35001550

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate (CID 55317018) is [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate is COc1ccc(C(=O)NNC(=O)COC(=O)COc2cc(C)ccc2C(C)C)cc1OC.
What is the InChIKey of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
The InChIKey is FVBLTSIJHCCRLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O7/c1-14(2)17-8-6-15(3)10-19(17)31-13-22(27)32-12-21(26)24-25-23(28)16-7-9-18(29-4)20(11-16)30-5/h6-11,14H,12-13H2,1-5H3,(H,24,26)(H,25,28).
What are the key properties of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate?
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate has a molecular weight of 444.48 g/mol, XLogP of 2.52, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 55317018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).