N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine

C18H19N2O2P — CID 2345527

IUPACN'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine
SMILESNCCNP1(=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)
InChIKeyUTKBIAZMYGCKGY-UHFFFAOYSA-N
MW326.34 g/mol
LogP3.84
Rot. Bonds5

About N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine

N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine (PubChem CID 2345527) has the molecular formula C18H19N2O2P and a molecular weight of 326.34 g/mol. Its IUPAC name is N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine
PubChem CID2345527
Molecular FormulaC18H19N2O2P
Molecular Weight326.34 g/mol
Exact Mass326.12
IUPAC NameN'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine
SMILESNCCNP1(=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)
InChIKeyUTKBIAZMYGCKGY-UHFFFAOYSA-N
XLogP3.84
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine (CID 2345527) is N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine is NCCNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine?
The InChIKey is UTKBIAZMYGCKGY-UHFFFAOYSA-N. 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).
What are the key properties of N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine?
N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine has a molecular weight of 326.34 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 2345527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).