ethyl 4-[(4-ethylphenyl)methylideneamino]benzoate

C18H19NO2 — CID 724617

IUPACethyl 4-[(4-ethylphenyl)methylideneamino]benzoate
SMILESCCOC(=O)c1ccc(/N=C/c2ccc(CC)cc2)cc1
InChIInChI=1S/C18H19NO2/c1-3-14-5-7-15(8-6-14)13-19-17-11-9-16(10-12-17)18(20)21-4-2/h5-13H,3-4H2,1-2H3/b19-13+
InChIKeyWHTHPZIFKMIDHK-CPNJWEJPSA-N
MW281.36 g/mol
LogP4.18
Rot. Bonds5

About ethyl 4-[(4-ethylphenyl)methylideneamino]benzoate

ethyl 4-[(4-ethylphenyl)methylideneamino]benzoate (PubChem CID 724617) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 4-[(4-ethylphenyl)methylideneamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(4-ethylphenyl)methylideneamino]benzoate
PubChem CID724617
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Nameethyl 4-[(4-ethylphenyl)methylideneamino]benzoate
SMILESCCOC(=O)c1ccc(/N=C/c2ccc(CC)cc2)cc1
InChIInChI=1S/C18H19NO2/c1-3-14-5-7-15(8-6-14)13-19-17-11-9-16(10-12-17)18(20)21-4-2/h5-13H,3-4H2,1-2H3/b19-13+
InChIKeyWHTHPZIFKMIDHK-CPNJWEJPSA-N
XLogP4.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(4-ethylphenyl)methylideneamino]benzoate?
The IUPAC name of ethyl 4-[(4-ethylphenyl)methylideneamino]benzoate (CID 724617) is ethyl 4-[(4-ethylphenyl)methylideneamino]benzoate.
What is the SMILES notation for ethyl 4-[(4-ethylphenyl)methylideneamino]benzoate?
The canonical SMILES for ethyl 4-[(4-ethylphenyl)methylideneamino]benzoate is CCOC(=O)c1ccc(/N=C/c2ccc(CC)cc2)cc1.
What is the InChIKey of ethyl 4-[(4-ethylphenyl)methylideneamino]benzoate?
The InChIKey is WHTHPZIFKMIDHK-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H19NO2/c1-3-14-5-7-15(8-6-14)13-19-17-11-9-16(10-12-17)18(20)21-4-2/h5-13H,3-4H2,1-2H3/b19-13+.
What are the key properties of ethyl 4-[(4-ethylphenyl)methylideneamino]benzoate?
ethyl 4-[(4-ethylphenyl)methylideneamino]benzoate has a molecular weight of 281.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(4-ethylphenyl)methylideneamino]benzoate is sourced from PubChem (CID 724617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).