propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate

C23H28N2O6 — CID 4928819

IUPACpropyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NNC(=O)C(CC)Oc2cccc(C)c2)cc1
InChIInChI=1S/C23H28N2O6/c1-4-13-29-23(28)17-9-11-18(12-10-17)30-15-21(26)24-25-22(27)20(5-2)31-19-8-6-7-16(3)14-19/h6-12,14,20H,4-5,13,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyQBHUPYXSLXCNLE-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.95
Rot. Bonds10

About propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate

propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate (PubChem CID 4928819) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate.

Molecular Properties

Compound Namepropyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate
PubChem CID4928819
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Namepropyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate
SMILESCCCOC(=O)c1ccc(OCC(=O)NNC(=O)C(CC)Oc2cccc(C)c2)cc1
InChIInChI=1S/C23H28N2O6/c1-4-13-29-23(28)17-9-11-18(12-10-17)30-15-21(26)24-25-22(27)20(5-2)31-19-8-6-7-16(3)14-19/h6-12,14,20H,4-5,13,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyQBHUPYXSLXCNLE-UHFFFAOYSA-N
XLogP2.95
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

propyl 4-[2-[2-[2-(2-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4927797
4-hexoxy-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4930869
propyl 4-[2-[2-[2-(2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4958742
N'-[2-(2,4-dimethylphenoxy)acetyl]-2-(3-methylphenoxy)butanehydrazide
CID 4928664
2-(4-methylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]butanehydrazide
CID 4950205
4-methyl-N'-[2-(3-methylphenoxy)butanoyl]benzohydrazide
CID 4928674
N'-[2-(3-methylphenoxy)butanoyl]-4-prop-2-enoxybenzohydrazide
CID 4928818
2-(3-methylphenoxy)-N-(4-propoxyphenyl)butanamide
CID 4943144
propyl 4-[2-[2-(2-naphthalen-2-yloxyacetyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 4927665
propyl 4-[2-[2-[2-(4-bromo-2,6-dimethylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 4961187
propyl 4-[2-[2-[2-(2-butan-2-ylphenoxy)propanoyl]hydrazinyl]-2-oxoethoxy]benzoate
CID 17130058
propyl 4-[2-[2-(4-butan-2-yloxybenzoyl)hydrazinyl]-2-oxoethoxy]benzoate
CID 17141452

Frequently Asked Questions

What is the IUPAC name of propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate?
The IUPAC name of propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate (CID 4928819) is propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate.
What is the SMILES notation for propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate?
The canonical SMILES for propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate is CCCOC(=O)c1ccc(OCC(=O)NNC(=O)C(CC)Oc2cccc(C)c2)cc1.
What is the InChIKey of propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate?
The InChIKey is QBHUPYXSLXCNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6/c1-4-13-29-23(28)17-9-11-18(12-10-17)30-15-21(26)24-25-22(27)20(5-2)31-19-8-6-7-16(3)14-19/h6-12,14,20H,4-5,13,15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate?
propyl 4-[2-[2-[2-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate has a molecular weight of 428.49 g/mol, XLogP of 2.95, 10 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-(3-methylphenoxy)butanoyl]hydrazinyl]-2-oxoethoxy]benzoate is sourced from PubChem (CID 4928819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).