2-diethoxyphosphoryl-N,2-diphenylethenimine

C18H20NO3P — CID 12539599

IUPAC2-diethoxyphosphoryl-N,2-diphenylethenimine
SMILESCCOP(=O)(OCC)C(=C=Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20NO3P/c1-3-21-23(20,22-4-2)18(16-11-7-5-8-12-16)15-19-17-13-9-6-10-14-17/h5-14H,3-4H2,1-2H3
InChIKeyRJSFHSXRSSCRGJ-UHFFFAOYSA-N
MW329.34 g/mol
LogP5.30
Rot. Bonds7

About 2-diethoxyphosphoryl-N,2-diphenylethenimine

2-diethoxyphosphoryl-N,2-diphenylethenimine (PubChem CID 12539599) has the molecular formula C18H20NO3P and a molecular weight of 329.34 g/mol. Its IUPAC name is 2-diethoxyphosphoryl-N,2-diphenylethenimine.

Molecular Properties

Compound Name2-diethoxyphosphoryl-N,2-diphenylethenimine
PubChem CID12539599
Molecular FormulaC18H20NO3P
Molecular Weight329.34 g/mol
Exact Mass329.12
IUPAC Name2-diethoxyphosphoryl-N,2-diphenylethenimine
SMILESCCOP(=O)(OCC)C(=C=Nc1ccccc1)c1ccccc1
InChIInChI=1S/C18H20NO3P/c1-3-21-23(20,22-4-2)18(16-11-7-5-8-12-16)15-19-17-13-9-6-10-14-17/h5-14H,3-4H2,1-2H3
InChIKeyRJSFHSXRSSCRGJ-UHFFFAOYSA-N
XLogP5.30
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.34
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-diethoxyphosphoryl-N,2-diphenylethenimine?
The IUPAC name of 2-diethoxyphosphoryl-N,2-diphenylethenimine (CID 12539599) is 2-diethoxyphosphoryl-N,2-diphenylethenimine.
What is the SMILES notation for 2-diethoxyphosphoryl-N,2-diphenylethenimine?
The canonical SMILES for 2-diethoxyphosphoryl-N,2-diphenylethenimine is CCOP(=O)(OCC)C(=C=Nc1ccccc1)c1ccccc1.
What is the InChIKey of 2-diethoxyphosphoryl-N,2-diphenylethenimine?
The InChIKey is RJSFHSXRSSCRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20NO3P/c1-3-21-23(20,22-4-2)18(16-11-7-5-8-12-16)15-19-17-13-9-6-10-14-17/h5-14H,3-4H2,1-2H3.
What are the key properties of 2-diethoxyphosphoryl-N,2-diphenylethenimine?
2-diethoxyphosphoryl-N,2-diphenylethenimine has a molecular weight of 329.34 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diethoxyphosphoryl-N,2-diphenylethenimine is sourced from PubChem (CID 12539599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).