methyl 4-[(4-methylphenyl)methylideneamino]benzoate

C16H15NO2 — CID 904460

IUPACmethyl 4-[(4-methylphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1ccc(/N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C16H15NO2/c1-12-3-5-13(6-4-12)11-17-15-9-7-14(8-10-15)16(18)19-2/h3-11H,1-2H3/b17-11+
InChIKeyVSUBQWICIGBFIM-GZTJUZNOSA-N
MW253.30 g/mol
LogP3.53
Rot. Bonds3

About methyl 4-[(4-methylphenyl)methylideneamino]benzoate

methyl 4-[(4-methylphenyl)methylideneamino]benzoate (PubChem CID 904460) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 4-[(4-methylphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-methylphenyl)methylideneamino]benzoate
PubChem CID904460
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namemethyl 4-[(4-methylphenyl)methylideneamino]benzoate
SMILESCOC(=O)c1ccc(/N=C/c2ccc(C)cc2)cc1
InChIInChI=1S/C16H15NO2/c1-12-3-5-13(6-4-12)11-17-15-9-7-14(8-10-15)16(18)19-2/h3-11H,1-2H3/b17-11+
InChIKeyVSUBQWICIGBFIM-GZTJUZNOSA-N
XLogP3.53
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4-[(4-methylphenyl)methylideneamino]benzoate 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 4-[(4-methylphenyl)methylideneamino]benzoate?
The IUPAC name of methyl 4-[(4-methylphenyl)methylideneamino]benzoate (CID 904460) is methyl 4-[(4-methylphenyl)methylideneamino]benzoate.
What is the SMILES notation for methyl 4-[(4-methylphenyl)methylideneamino]benzoate?
The canonical SMILES for methyl 4-[(4-methylphenyl)methylideneamino]benzoate is COC(=O)c1ccc(/N=C/c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 4-[(4-methylphenyl)methylideneamino]benzoate?
The InChIKey is VSUBQWICIGBFIM-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H15NO2/c1-12-3-5-13(6-4-12)11-17-15-9-7-14(8-10-15)16(18)19-2/h3-11H,1-2H3/b17-11+.
What are the key properties of methyl 4-[(4-methylphenyl)methylideneamino]benzoate?
methyl 4-[(4-methylphenyl)methylideneamino]benzoate has a molecular weight of 253.30 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methylphenyl)methylideneamino]benzoate is sourced from PubChem (CID 904460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).