methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate

C20H24N2O3 — CID 10783357

IUPACmethyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate
SMILESCOC(=O)C(C)(C)C(Cc1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-20(2,19(24)25-3)17(14-15-10-6-4-7-11-15)21-22-18(23)16-12-8-5-9-13-16/h4-13,17,21H,14H2,1-3H3,(H,22,23)
InChIKeyWUKDWRBMYSOXRR-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.73
Rot. Bonds7

About methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate

methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate (PubChem CID 10783357) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate.

Molecular Properties

Compound Namemethyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate
PubChem CID10783357
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate
SMILESCOC(=O)C(C)(C)C(Cc1ccccc1)NNC(=O)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-20(2,19(24)25-3)17(14-15-10-6-4-7-11-15)21-22-18(23)16-12-8-5-9-13-16/h4-13,17,21H,14H2,1-3H3,(H,22,23)
InChIKeyWUKDWRBMYSOXRR-UHFFFAOYSA-N
XLogP2.73
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate?
The IUPAC name of methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate (CID 10783357) is methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate.
What is the SMILES notation for methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate?
The canonical SMILES for methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate is COC(=O)C(C)(C)C(Cc1ccccc1)NNC(=O)c1ccccc1.
What is the InChIKey of methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate?
The InChIKey is WUKDWRBMYSOXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-20(2,19(24)25-3)17(14-15-10-6-4-7-11-15)21-22-18(23)16-12-8-5-9-13-16/h4-13,17,21H,14H2,1-3H3,(H,22,23).
What are the key properties of methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate?
methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate has a molecular weight of 340.42 g/mol, XLogP of 2.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-benzoylhydrazinyl)-2,2-dimethyl-4-phenylbutanoate is sourced from PubChem (CID 10783357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).