propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate

C23H28N2O7 — CID 17122909

IUPACpropyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCCOCC)cc1
InChIInChI=1S/C23H28N2O7/c1-3-13-31-23(28)17-9-11-18(12-10-17)32-16-21(26)24-25-22(27)19-7-5-6-8-20(19)30-15-14-29-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLJNZGDAKEIZCSB-UHFFFAOYSA-N
MW444.48 g/mol
LogP2.51
Rot. Bonds12

About propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate

propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate (PubChem CID 17122909) has the molecular formula C23H28N2O7 and a molecular weight of 444.48 g/mol. Its IUPAC name is propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate
PubChem CID17122909
Molecular FormulaC23H28N2O7
Molecular Weight444.48 g/mol
Exact Mass444.19
IUPAC Namepropyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCCOCC)cc1
InChIInChI=1S/C23H28N2O7/c1-3-13-31-23(28)17-9-11-18(12-10-17)32-16-21(26)24-25-22(27)19-7-5-6-8-20(19)30-15-14-29-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,24,26)(H,25,27)
InChIKeyLJNZGDAKEIZCSB-UHFFFAOYSA-N
XLogP2.51
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[2-[2-[2-(2-methoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17355650
2-[[[2-(4-propoxycarbonylphenoxy)acetyl]amino]carbamoyl]benzoic acid
CID 4927617
N'-[2-(4-methylphenoxy)acetyl]-2-propoxybenzohydrazide
CID 4931603
2-(2-ethoxyethoxy)-N'-(4-hexoxybenzoyl)benzohydrazide
CID 17122913
2-butoxy-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 4941258
N'-(2-ethoxyacetyl)-2-(2-phenoxyethoxy)benzohydrazide
CID 17140922
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(2-ethoxyethoxy)benzohydrazide
CID 17122878
2-(2-ethoxyethoxy)-N'-(4-prop-2-enoxybenzoyl)benzohydrazide
CID 17122908
N'-(2-ethoxyacetyl)-2-(2-methoxyethoxy)benzohydrazide
CID 17140943
N-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioyl]-2-(2-ethoxyethoxy)benzamide
CID 17123164
2-(2-ethoxyethoxy)-N'-[2-(4-methoxyphenyl)acetyl]benzohydrazide
CID 17122844
N'-[2-(4-methoxyphenoxy)acetyl]-2-pentoxybenzohydrazide
CID 4946756

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate?
The IUPAC name of propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate (CID 17122909) is propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate?
The canonical SMILES for propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate is CCCOC(=O)c1ccc(OCC(=O)NNC(=O)c2ccccc2OCCOCC)cc1.
What is the InChIKey of propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate?
The InChIKey is LJNZGDAKEIZCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O7/c1-3-13-31-23(28)17-9-11-18(12-10-17)32-16-21(26)24-25-22(27)19-7-5-6-8-20(19)30-15-14-29-4-2/h5-12H,3-4,13-16H2,1-2H3,(H,24,26)(H,25,27).
What are the key properties of propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate?
propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate has a molecular weight of 444.48 g/mol, XLogP of 2.51, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-[2-[2-(2-ethoxyethoxy)benzoyl]hydrazinyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 17122909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).