(E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine

C20H24N2O2 — CID 5338010

IUPAC(E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine
SMILESCCCOc1ccc(/C=N/N=C/c2ccc(OCCC)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-13-23-19-9-5-17(6-10-19)15-21-22-16-18-7-11-20(12-8-18)24-14-4-2/h5-12,15-16H,3-4,13-14H2,1-2H3/b21-15+,22-16+
InChIKeyDAQYIKFACWFXHZ-YHARCJFQSA-N
MW324.42 g/mol
LogP4.72
Rot. Bonds9

About (E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine

(E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine (PubChem CID 5338010) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is (E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine
PubChem CID5338010
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name(E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine
SMILESCCCOc1ccc(/C=N/N=C/c2ccc(OCCC)cc2)cc1
InChIInChI=1S/C20H24N2O2/c1-3-13-23-19-9-5-17(6-10-19)15-21-22-16-18-7-11-20(12-8-18)24-14-4-2/h5-12,15-16H,3-4,13-14H2,1-2H3/b21-15+,22-16+
InChIKeyDAQYIKFACWFXHZ-YHARCJFQSA-N
XLogP4.72
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine?
The IUPAC name of (E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine (CID 5338010) is (E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine?
The canonical SMILES for (E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine is CCCOc1ccc(/C=N/N=C/c2ccc(OCCC)cc2)cc1.
What is the InChIKey of (E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine?
The InChIKey is DAQYIKFACWFXHZ-YHARCJFQSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-3-13-23-19-9-5-17(6-10-19)15-21-22-16-18-7-11-20(12-8-18)24-14-4-2/h5-12,15-16H,3-4,13-14H2,1-2H3/b21-15+,22-16+.
What are the key properties of (E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine?
(E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine has a molecular weight of 324.42 g/mol, XLogP of 4.72, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-propoxyphenyl)-N-[(E)-(4-propoxyphenyl)methylideneamino]methanimine is sourced from PubChem (CID 5338010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).