2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide

C24H26NO2P — CID 14897370

IUPAC2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26NO2P/c1-3-25(4-2)24(26)23(20-14-8-5-9-15-20)28(27,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23H,3-4H2,1-2H3
InChIKeyJQYBBIABSHPOBG-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.61
Rot. Bonds7

About 2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide

2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide (PubChem CID 14897370) has the molecular formula C24H26NO2P and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide
PubChem CID14897370
Molecular FormulaC24H26NO2P
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide
SMILESCCN(CC)C(=O)C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H26NO2P/c1-3-25(4-2)24(26)23(20-14-8-5-9-15-20)28(27,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23H,3-4H2,1-2H3
InChIKeyJQYBBIABSHPOBG-UHFFFAOYSA-N
XLogP4.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[6-[(1R)-2-(diethylamino)-1-diphenylphosphoryl-2-oxoethyl]-1-oxidopyridin-1-ium-2-yl]-2-diphenylphosphoryl-N,N-diethylacetamide;praseodymium(3+);trinitrate
CID 139139258
(2R)-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 86310460
(2S)-3-[6-[(2S)-3-(diethylamino)-2-diphenylphosphoryl-3-oxopropyl]-2-pyridinyl]-2-diphenylphosphoryl-N,N-diethylpropanamide
CID 139139253
2-deuterio-N,N-diethyl-2-hydroxy-2-phenylacetamide
CID 90474492
2-diphenylphosphinothioyl-N,N-diethylpropanamide
CID 2828065
3-amino-N,N-diethyl-2-phenylpropanamide
CID 62876932
(2R,3R)-N,N-diethyl-3-hydroxy-2,3-diphenylpropanamide
CID 10756442
2-(4-tert-butylphenyl)-N,N-diethyl-2-phenylacetamide
CID 102499696
2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 14169460
2-(tert-butylamino)-N,N-diethyl-2-phenylacetamide
CID 11118885
N-[(S)-diphenylphosphoryl(phenyl)methyl]-N-ethyl-2-methylbenzamide
CID 98528381
(2R,3S)-N,N-diethyl-2-methyl-3-phenylpent-4-enamide
CID 134922582

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide?
The IUPAC name of 2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide (CID 14897370) is 2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide?
The canonical SMILES for 2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide is CCN(CC)C(=O)C(c1ccccc1)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide?
The InChIKey is JQYBBIABSHPOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26NO2P/c1-3-25(4-2)24(26)23(20-14-8-5-9-15-20)28(27,21-16-10-6-11-17-21)22-18-12-7-13-19-22/h5-19,23H,3-4H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide?
2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide has a molecular weight of 391.45 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide is sourced from PubChem (CID 14897370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).