methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate

C18H18N2O3 — CID 23266808

IUPACmethyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate
SMILESCOC(=O)/C(CC(=O)c1ccccc1)=N\N(C)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-20(15-11-7-4-8-12-15)19-16(18(22)23-2)13-17(21)14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/b19-16-
InChIKeyUWTUJBISUKMUCN-MNDPQUGUSA-N
MW310.35 g/mol
LogP2.92
Rot. Bonds6

About methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate

methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate (PubChem CID 23266808) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate.

Molecular Properties

Compound Namemethyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate
PubChem CID23266808
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate
SMILESCOC(=O)/C(CC(=O)c1ccccc1)=N\N(C)c1ccccc1
InChIInChI=1S/C18H18N2O3/c1-20(15-11-7-4-8-12-15)19-16(18(22)23-2)13-17(21)14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/b19-16-
InChIKeyUWTUJBISUKMUCN-MNDPQUGUSA-N
XLogP2.92
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate?
The IUPAC name of methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate (CID 23266808) is methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate.
What is the SMILES notation for methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate?
The canonical SMILES for methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate is COC(=O)/C(CC(=O)c1ccccc1)=N\N(C)c1ccccc1.
What is the InChIKey of methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate?
The InChIKey is UWTUJBISUKMUCN-MNDPQUGUSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-20(15-11-7-4-8-12-15)19-16(18(22)23-2)13-17(21)14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/b19-16-.
What are the key properties of methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate?
methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate has a molecular weight of 310.35 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-2-[methyl(phenyl)hydrazinylidene]-4-oxo-4-phenylbutanoate is sourced from PubChem (CID 23266808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).