2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium

C18H20N2O2P+ — CID 2345526

IUPAC2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium
SMILES[NH3+]CCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C18H19N2O2P/c19-11-12-20-23(21)13-17(15-7-3-1-4-8-15)22-18(14-23)16-9-5-2-6-10-16/h1-10,13-14H,11-12,19H2,(H,20,21)/p+1
InChIKeyUTKBIAZMYGCKGY-UHFFFAOYSA-O
MW327.34 g/mol
LogP3.12
Rot. Bonds5

About 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium

2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium (PubChem CID 2345526) has the molecular formula C18H20N2O2P+ and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium.

Molecular Properties

Compound Name2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium
PubChem CID2345526
Molecular FormulaC18H20N2O2P+
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium
SMILES[NH3+]CCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C18H19N2O2P/c19-11-12-20-23(21)13-17(15-7-3-1-4-8-15)22-18(14-23)16-9-5-2-6-10-16/h1-10,13-14H,11-12,19H2,(H,20,21)/p+1
InChIKeyUTKBIAZMYGCKGY-UHFFFAOYSA-O
XLogP3.12
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium?
The IUPAC name of 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium (CID 2345526) is 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium.
What is the SMILES notation for 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium?
The canonical SMILES for 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium is [NH3+]CCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium?
The InChIKey is UTKBIAZMYGCKGY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H19N2O2P/c19-11-12-20-23(21)13-17(15-7-3-1-4-8-15)22-18(14-23)16-9-5-2-6-10-16/h1-10,13-14H,11-12,19H2,(H,20,21)/p+1.
What are the key properties of 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium?
2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium has a molecular weight of 327.34 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium is sourced from PubChem (CID 2345526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).