4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide

C17H18N2O2 — CID 4249365

IUPAC4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)NN=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-3-21-16-10-8-15(9-11-16)17(20)19-18-12-14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyAOCZZOMLDLPOFR-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.16
Rot. Bonds5

About 4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide

4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide (PubChem CID 4249365) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
PubChem CID4249365
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide
SMILESCCOc1ccc(C(=O)NN=Cc2ccc(C)cc2)cc1
InChIInChI=1S/C17H18N2O2/c1-3-21-16-10-8-15(9-11-16)17(20)19-18-12-14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyAOCZZOMLDLPOFR-UHFFFAOYSA-N
XLogP3.16
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N,4-N-bis[(4-ethoxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 4674929
N-[(Z)-(4-methylphenyl)methylideneamino]-4-propoxybenzamide
CID 92658946
4-ethoxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135472605
4-chloro-N-[(Z)-(4-ethoxyphenyl)methylideneamino]benzamide
CID 5402776
N-[(4-tert-butylphenyl)methylideneamino]-4-ethoxybenzamide
CID 4132757
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 126124875
N-[(E)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410676
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-2-(4-methylphenoxy)acetamide
CID 5410677
4-(3-methylbutoxy)-N-[(4-methylphenyl)methylideneamino]benzamide
CID 4927373
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 135849467
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-4-nitrobenzamide
CID 5418193
N-[(4-methylphenyl)methylideneamino]-4-phenylmethoxybenzamide
CID 4932926

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide (CID 4249365) is 4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide is CCOc1ccc(C(=O)NN=Cc2ccc(C)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide?
The InChIKey is AOCZZOMLDLPOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-21-16-10-8-15(9-11-16)17(20)19-18-12-14-6-4-13(2)5-7-14/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of 4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide?
4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide has a molecular weight of 282.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(4-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 4249365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).