propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate

C23H28N2O6 — CID 4958742

IUPACpropyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NNC(=O)C(C)Oc2c(C)cccc2C)cc1
InChIInChI=1S/C23H28N2O6/c1-5-13-29-23(28)18-9-11-19(12-10-18)30-14-20(26)24-25-22(27)17(4)31-21-15(2)7-6-8-16(21)3/h6-12,17H,5,13-14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyOODSPFHJAPYZQV-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.86
Rot. Bonds9

About propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate

propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate (PubChem CID 4958742) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
PubChem CID4958742
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Namepropyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NNC(=O)C(C)Oc2c(C)cccc2C)cc1
InChIInChI=1S/C23H28N2O6/c1-5-13-29-23(28)18-9-11-19(12-10-18)30-14-20(26)24-25-22(27)17(4)31-21-15(2)7-6-8-16(21)3/h6-12,17H,5,13-14H2,1-4H3,(H,24,26)(H,25,27)
InChIKeyOODSPFHJAPYZQV-UHFFFAOYSA-N
XLogP2.86
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

propyl 4-[2-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4961187
(2R)-2-(2,6-dimethylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]propanehydrazide
CID 9297891
(2S)-2-(2,6-dimethylphenoxy)-N'-(2-phenoxyacetyl)propanehydrazide
CID 9297829
propyl 4-[[(2R)-2-(2,6-dimethylphenoxy)propanoyl]amino]benzoate
CID 9297307
propyl 4-[2-[2-[2-(2-butan-2-ylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17130058
propyl 4-[2-[2-[2-(4-nitrophenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4951438
propyl 4-[2-[2-[2-(2-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927797
propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4928819
propyl 4-[2-[2-(4-butan-2-yloxybenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 17141452
2-(2,3-dimethylphenoxy)-N'-[2-(4-ethylphenoxy)acetyl]propanehydrazide
CID 55341964
propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 4927665
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-(4-phenylphenoxy)propanehydrazide
CID 4951968

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate?
The IUPAC name of propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate (CID 4958742) is propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate?
The canonical SMILES for propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate is CCCOC(=O)c1ccc(OCC(=O)NNC(=O)C(C)Oc2c(C)cccc2C)cc1.
What is the InChIKey of propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate?
The InChIKey is OODSPFHJAPYZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-5-13-29-23(28)18-9-11-19(12-10-18)30-14-20(26)24-25-22(27)17(4)31-21-15(2)7-6-8-16(21)3/h6-12,17H,5,13-14H2,1-4H3,(H,24,26)(H,25,27).
What are the key properties of propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate?
propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate has a molecular weight of 428.49 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 4958742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).