phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate

C25H25NO2 — CID 67544196

IUPACphenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate
SMILESCCC(=C\Oc1ccc(C)cc1)/C(=N/c1ccc(C)cc1)Oc1ccccc1
InChIInChI=1S/C25H25NO2/c1-4-21(18-27-23-16-12-20(3)13-17-23)25(28-24-8-6-5-7-9-24)26-22-14-10-19(2)11-15-22/h5-18H,4H2,1-3H3/b21-18+,26-25-
InChIKeyOTECXYHPQPBEBD-NZVPJIEISA-N
MW371.48 g/mol
LogP6.79
Rot. Bonds6

About phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate

phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate (PubChem CID 67544196) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate.

Molecular Properties

Compound Namephenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate
PubChem CID67544196
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Namephenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate
SMILESCCC(=C\Oc1ccc(C)cc1)/C(=N/c1ccc(C)cc1)Oc1ccccc1
InChIInChI=1S/C25H25NO2/c1-4-21(18-27-23-16-12-20(3)13-17-23)25(28-24-8-6-5-7-9-24)26-22-14-10-19(2)11-15-22/h5-18H,4H2,1-3H3/b21-18+,26-25-
InChIKeyOTECXYHPQPBEBD-NZVPJIEISA-N
XLogP6.79
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 56.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate?
The IUPAC name of phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate (CID 67544196) is phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate.
What is the SMILES notation for phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate?
The canonical SMILES for phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate is CCC(=C\Oc1ccc(C)cc1)/C(=N/c1ccc(C)cc1)Oc1ccccc1.
What is the InChIKey of phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate?
The InChIKey is OTECXYHPQPBEBD-NZVPJIEISA-N. The full InChI is InChI=1S/C25H25NO2/c1-4-21(18-27-23-16-12-20(3)13-17-23)25(28-24-8-6-5-7-9-24)26-22-14-10-19(2)11-15-22/h5-18H,4H2,1-3H3/b21-18+,26-25-.
What are the key properties of phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate?
phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate has a molecular weight of 371.48 g/mol, XLogP of 6.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2E)-2-[(4-methylphenoxy)methylidene]-N-(4-methylphenyl)butanimidate is sourced from PubChem (CID 67544196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).