(E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine

C23H21NO — CID 45378867

IUPAC(E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine
SMILESCc1ccc(/C=N/OC(/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-19-12-14-21(15-13-19)18-24-25-23(22-10-6-3-7-11-22)17-16-20-8-4-2-5-9-20/h2-18,23H,1H3/b17-16+,24-18+
InChIKeyJOMVRUWUMOCPMQ-WAPKBUOOSA-N
MW327.43 g/mol
LogP5.80
Rot. Bonds6

About (E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine

(E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine (PubChem CID 45378867) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is (E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine
PubChem CID45378867
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC Name(E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine
SMILESCc1ccc(/C=N/OC(/C=C/c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H21NO/c1-19-12-14-21(15-13-19)18-24-25-23(22-10-6-3-7-11-22)17-16-20-8-4-2-5-9-20/h2-18,23H,1H3/b17-16+,24-18+
InChIKeyJOMVRUWUMOCPMQ-WAPKBUOOSA-N
XLogP5.80
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine?
The IUPAC name of (E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine (CID 45378867) is (E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine.
What is the SMILES notation for (E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine?
The canonical SMILES for (E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine is Cc1ccc(/C=N/OC(/C=C/c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine?
The InChIKey is JOMVRUWUMOCPMQ-WAPKBUOOSA-N. The full InChI is InChI=1S/C23H21NO/c1-19-12-14-21(15-13-19)18-24-25-23(22-10-6-3-7-11-22)17-16-20-8-4-2-5-9-20/h2-18,23H,1H3/b17-16+,24-18+.
What are the key properties of (E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine?
(E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine has a molecular weight of 327.43 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-1,3-diphenylprop-2-enoxy]-1-(4-methylphenyl)methanimine is sourced from PubChem (CID 45378867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).