4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine

C19H19N2O2P — CID 3925132

IUPAC4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine
SMILESCC(C)=NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C19H19N2O2P/c1-15(2)20-21-24(22)13-18(16-9-5-3-6-10-16)23-19(14-24)17-11-7-4-8-12-17/h3-14H,1-2H3,(H,21,22)
InChIKeyZBLHJXYDNVYHPE-UHFFFAOYSA-N
MW338.35 g/mol
LogP5.28
Rot. Bonds4

About 4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine

4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine (PubChem CID 3925132) has the molecular formula C19H19N2O2P and a molecular weight of 338.35 g/mol. Its IUPAC name is 4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine.

Molecular Properties

Compound Name4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine
PubChem CID3925132
Molecular FormulaC19H19N2O2P
Molecular Weight338.35 g/mol
Exact Mass338.12
IUPAC Name4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine
SMILESCC(C)=NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C19H19N2O2P/c1-15(2)20-21-24(22)13-18(16-9-5-3-6-10-16)23-19(14-24)17-11-7-4-8-12-17/h3-14H,1-2H3,(H,21,22)
InChIKeyZBLHJXYDNVYHPE-UHFFFAOYSA-N
XLogP5.28
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.35
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine?
The IUPAC name of 4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine (CID 3925132) is 4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine.
What is the SMILES notation for 4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine?
The canonical SMILES for 4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine is CC(C)=NNP1(=O)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of 4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine?
The InChIKey is ZBLHJXYDNVYHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N2O2P/c1-15(2)20-21-24(22)13-18(16-9-5-3-6-10-16)23-19(14-24)17-11-7-4-8-12-17/h3-14H,1-2H3,(H,21,22).
What are the key properties of 4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine?
4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine has a molecular weight of 338.35 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4λ5-oxaphosphinin-4-amine is sourced from PubChem (CID 3925132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).