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

C22H23N2O2P — CID 4210844

IUPACN-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine
SMILESO=P1(NN=C2CCCCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C22H23N2O2P/c25-27(24-23-20-14-8-3-9-15-20)16-21(18-10-4-1-5-11-18)26-22(17-27)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,24,25)
InChIKeyIYNNHDMOYPTPAD-UHFFFAOYSA-N
MW378.41 g/mol
LogP6.20
Rot. Bonds4

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

N-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine (PubChem CID 4210844) has the molecular formula C22H23N2O2P and a molecular weight of 378.41 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine
PubChem CID4210844
Molecular FormulaC22H23N2O2P
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC NameN-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine
SMILESO=P1(NN=C2CCCCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C22H23N2O2P/c25-27(24-23-20-14-8-3-9-15-20)16-21(18-10-4-1-5-11-18)26-22(17-27)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,24,25)
InChIKeyIYNNHDMOYPTPAD-UHFFFAOYSA-N
XLogP6.20
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 56.20
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 N-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine?
The IUPAC name of N-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine (CID 4210844) is N-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine.
What is the SMILES notation for N-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine?
The canonical SMILES for N-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine is O=P1(NN=C2CCCCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of N-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine?
The InChIKey is IYNNHDMOYPTPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N2O2P/c25-27(24-23-20-14-8-3-9-15-20)16-21(18-10-4-1-5-11-18)26-22(17-27)19-12-6-2-7-13-19/h1-2,4-7,10-13,16-17H,3,8-9,14-15H2,(H,24,25).
What are the key properties of N-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine?
N-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine has a molecular weight of 378.41 g/mol, XLogP of 6.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine is sourced from PubChem (CID 4210844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).