2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate

C24H27N3O7 — CID 17259765

IUPAC2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
SMILESCC(C)COC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C24H27N3O7/c1-16(2)14-34-24(32)18-9-6-10-19(13-18)25-20(28)11-12-22(30)33-15-21(29)26-27-23(31)17-7-4-3-5-8-17/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)
InChIKeyRSOSWFJFZOVPHL-UHFFFAOYSA-N
MW469.49 g/mol
LogP2.22
Rot. Bonds10

About 2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate

2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate (PubChem CID 17259765) has the molecular formula C24H27N3O7 and a molecular weight of 469.49 g/mol. Its IUPAC name is 2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate.

Molecular Properties

Compound Name2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
PubChem CID17259765
Molecular FormulaC24H27N3O7
Molecular Weight469.49 g/mol
Exact Mass469.18
IUPAC Name2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
SMILESCC(C)COC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1
InChIInChI=1S/C24H27N3O7/c1-16(2)14-34-24(32)18-9-6-10-19(13-18)25-20(28)11-12-22(30)33-15-21(29)26-27-23(31)17-7-4-3-5-8-17/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,25,28)(H,26,29)(H,27,31)
InChIKeyRSOSWFJFZOVPHL-UHFFFAOYSA-N
XLogP2.22
TPSA139.90 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]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

2-methylpropyl 3-benzamidobenzoate
CID 691358
2-methylpropyl 4-[(4-oxo-4-phenacyloxybutanoyl)amino]benzoate
CID 3112611
propyl 4-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 17259572
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-[4-(2,6-dimethylphenoxy)anilino]-4-oxobutanoate
CID 17259393
[2-(3-chloroanilino)-2-oxoethyl] 5-(2-benzoylhydrazinyl)-5-oxopentanoate
CID 17258404
2-methylpropyl 4-[[4-[2-(2-ethylanilino)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate
CID 17087333
ethyl 3-(3-benzamidobutanoylamino)benzoate
CID 46612606
2-methylpropyl 4-[[5-oxo-5-[2-oxo-2-(4-phenoxyanilino)ethoxy]pentanoyl]amino]benzoate
CID 17259886
2-methoxyethyl 4-oxo-4-[3-(1-phenylethylcarbamoyl)anilino]butanoate
CID 43877852
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
[2-[4-(2-methylpropoxycarbonyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 9067753
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
The IUPAC name of 2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate (CID 17259765) is 2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate.
What is the SMILES notation for 2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
The canonical SMILES for 2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate is CC(C)COC(=O)c1cccc(NC(=O)CCC(=O)OCC(=O)NNC(=O)c2ccccc2)c1.
What is the InChIKey of 2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
The InChIKey is RSOSWFJFZOVPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O7/c1-16(2)14-34-24(32)18-9-6-10-19(13-18)25-20(28)11-12-22(30)33-15-21(29)26-27-23(31)17-7-4-3-5-8-17/h3-10,13,16H,11-12,14-15H2,1-2H3,(H,25,28)(H,26,29)(H,27,31).
What are the key properties of 2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate?
2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate has a molecular weight of 469.49 g/mol, XLogP of 2.22, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-[[4-[2-(2-benzoylhydrazinyl)-2-oxoethoxy]-4-oxobutanoyl]amino]benzoate is sourced from PubChem (CID 17259765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).