2-diphenylphosphoryl-N,N-dimethylacetamide

C16H18NO2P — CID 14897379

IUPAC2-diphenylphosphoryl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18NO2P/c1-17(2)16(18)13-20(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyVXEQFRALCVZMLB-UHFFFAOYSA-N
MW287.30 g/mol
LogP2.09
Rot. Bonds4

About 2-diphenylphosphoryl-N,N-dimethylacetamide

2-diphenylphosphoryl-N,N-dimethylacetamide (PubChem CID 14897379) has the molecular formula C16H18NO2P and a molecular weight of 287.30 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N,N-dimethylacetamide
PubChem CID14897379
Molecular FormulaC16H18NO2P
Molecular Weight287.30 g/mol
Exact Mass287.11
IUPAC Name2-diphenylphosphoryl-N,N-dimethylacetamide
SMILESCN(C)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H18NO2P/c1-17(2)16(18)13-20(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3
InChIKeyVXEQFRALCVZMLB-UHFFFAOYSA-N
XLogP2.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
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-diphenylphosphoryl-N,N-dimethylacetamide?
The IUPAC name of 2-diphenylphosphoryl-N,N-dimethylacetamide (CID 14897379) is 2-diphenylphosphoryl-N,N-dimethylacetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N,N-dimethylacetamide?
The canonical SMILES for 2-diphenylphosphoryl-N,N-dimethylacetamide is CN(C)C(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N,N-dimethylacetamide?
The InChIKey is VXEQFRALCVZMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO2P/c1-17(2)16(18)13-20(19,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,13H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-N,N-dimethylacetamide?
2-diphenylphosphoryl-N,N-dimethylacetamide has a molecular weight of 287.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N,N-dimethylacetamide is sourced from PubChem (CID 14897379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).