[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate

C21H24N2O7 — CID 29345614

IUPAC[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H24N2O7/c1-4-14-5-8-16(9-6-14)29-13-20(25)30-12-19(24)22-23-21(26)15-7-10-17(27-2)18(11-15)28-3/h5-11H,4,12-13H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyXAMMTHPOMXQQSV-UHFFFAOYSA-N
MW416.43 g/mol
LogP1.65
Rot. Bonds9

About [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate

[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate (PubChem CID 29345614) has the molecular formula C21H24N2O7 and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
PubChem CID29345614
Molecular FormulaC21H24N2O7
Molecular Weight416.43 g/mol
Exact Mass416.16
IUPAC Name[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate
SMILESCCc1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C21H24N2O7/c1-4-14-5-8-16(9-6-14)29-13-20(25)30-12-19(24)22-23-21(26)15-7-10-17(27-2)18(11-15)28-3/h5-11H,4,12-13H2,1-3H3,(H,22,24)(H,23,26)
InChIKeyXAMMTHPOMXQQSV-UHFFFAOYSA-N
XLogP1.65
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 51.65
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'-propanoylbenzohydrazide
CID 785401
N'-[2-(4-ethylphenoxy)acetyl]-3-methoxynaphthalene-2-carbohydrazide
CID 18225115
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 55317018
3-bromo-N'-[2-(4-ethylphenoxy)acetyl]-4-(2-methylpropoxy)benzohydrazide
CID 17351905
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2,5-dichlorobenzoate
CID 55313953
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 5-chloro-1-benzofuran-2-carboxylate
CID 27998412
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 7750520
N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 2090675
[2-(4-ethylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326799
3-bromo-4-methoxy-N'-[2-(4-methylphenoxy)acetyl]benzohydrazide
CID 3368075

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The IUPAC name of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate (CID 29345614) is [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate.
What is the SMILES notation for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The canonical SMILES for [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate is CCc1ccc(OCC(=O)OCC(=O)NNC(=O)c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
The InChIKey is XAMMTHPOMXQQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7/c1-4-14-5-8-16(9-6-14)29-13-20(25)30-12-19(24)22-23-21(26)15-7-10-17(27-2)18(11-15)28-3/h5-11H,4,12-13H2,1-3H3,(H,22,24)(H,23,26).
What are the key properties of [2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate?
[2-[2-(3,4-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl] 2-(4-ethylphenoxy)acetate has a molecular weight of 416.43 g/mol, XLogP of 1.65, 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-(4-ethylphenoxy)acetate is sourced from PubChem (CID 29345614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).