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

C25H25NO3 — CID 59498364

IUPACphenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate
SMILESCCC(=COc1ccc(OC)cc1)/C(=N/c1ccc(C)cc1)Oc1ccccc1
InChIInChI=1S/C25H25NO3/c1-4-20(18-28-23-16-14-22(27-3)15-17-23)25(29-24-8-6-5-7-9-24)26-21-12-10-19(2)11-13-21/h5-18H,4H2,1-3H3/b20-18?,26-25-
InChIKeyOOWNANICXBUIAN-VVZYURSISA-N
MW387.48 g/mol
LogP6.49
Rot. Bonds7

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

phenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate (PubChem CID 59498364) has the molecular formula C25H25NO3 and a molecular weight of 387.48 g/mol. Its IUPAC name is phenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate.

Molecular Properties

Compound Namephenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate
PubChem CID59498364
Molecular FormulaC25H25NO3
Molecular Weight387.48 g/mol
Exact Mass387.18
IUPAC Namephenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate
SMILESCCC(=COc1ccc(OC)cc1)/C(=N/c1ccc(C)cc1)Oc1ccccc1
InChIInChI=1S/C25H25NO3/c1-4-20(18-28-23-16-14-22(27-3)15-17-23)25(29-24-8-6-5-7-9-24)26-21-12-10-19(2)11-13-21/h5-18H,4H2,1-3H3/b20-18?,26-25-
InChIKeyOOWNANICXBUIAN-VVZYURSISA-N
XLogP6.49
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.48
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate?
The IUPAC name of phenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate (CID 59498364) is phenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate.
What is the SMILES notation for phenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate?
The canonical SMILES for phenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate is CCC(=COc1ccc(OC)cc1)/C(=N/c1ccc(C)cc1)Oc1ccccc1.
What is the InChIKey of phenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate?
The InChIKey is OOWNANICXBUIAN-VVZYURSISA-N. The full InChI is InChI=1S/C25H25NO3/c1-4-20(18-28-23-16-14-22(27-3)15-17-23)25(29-24-8-6-5-7-9-24)26-21-12-10-19(2)11-13-21/h5-18H,4H2,1-3H3/b20-18?,26-25-.
What are the key properties of phenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate?
phenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate has a molecular weight of 387.48 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-[(4-methoxyphenoxy)methylidene]-N-(4-methylphenyl)butanimidate is sourced from PubChem (CID 59498364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).