N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine

C23H25N2O2P — CID 4016338

IUPACN-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine
SMILESCC1CCC(=NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)CC1
InChIInChI=1S/C23H25N2O2P/c1-18-12-14-21(15-13-18)24-25-28(26)16-22(19-8-4-2-5-9-19)27-23(17-28)20-10-6-3-7-11-20/h2-11,16-18H,12-15H2,1H3,(H,25,26)/b24-21-
InChIKeyKUCKRVGYXRQQLR-FLFQWRMESA-N
MW392.44 g/mol
LogP6.45
Rot. Bonds4

About N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine

N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine (PubChem CID 4016338) has the molecular formula C23H25N2O2P and a molecular weight of 392.44 g/mol. Its IUPAC name is N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine.

Molecular Properties

Compound NameN-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine
PubChem CID4016338
Molecular FormulaC23H25N2O2P
Molecular Weight392.44 g/mol
Exact Mass392.17
IUPAC NameN-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine
SMILESCC1CCC(=NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)CC1
InChIInChI=1S/C23H25N2O2P/c1-18-12-14-21(15-13-18)24-25-28(26)16-22(19-8-4-2-5-9-19)27-23(17-28)20-10-6-3-7-11-20/h2-11,16-18H,12-15H2,1H3,(H,25,26)/b24-21-
InChIKeyKUCKRVGYXRQQLR-FLFQWRMESA-N
XLogP6.45
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.44
LogP ≤ 56.45
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-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine?
The IUPAC name of N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine (CID 4016338) is N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine.
What is the SMILES notation for N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine?
The canonical SMILES for N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine is CC1CCC(=NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)CC1.
What is the InChIKey of N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine?
The InChIKey is KUCKRVGYXRQQLR-FLFQWRMESA-N. The full InChI is InChI=1S/C23H25N2O2P/c1-18-12-14-21(15-13-18)24-25-28(26)16-22(19-8-4-2-5-9-19)27-23(17-28)20-10-6-3-7-11-20/h2-11,16-18H,12-15H2,1H3,(H,25,26)/b24-21-.
What are the key properties of N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine?
N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine has a molecular weight of 392.44 g/mol, XLogP of 6.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine is sourced from PubChem (CID 4016338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).