2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide

C36H35NO2P2 — CID 14169460

IUPAC2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESCCN(CC)C(=O)C(P(=O)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H35NO2P2/c1-3-37(4-2)35(38)36(41(39,33-26-16-8-17-27-33)34-28-18-9-19-29-34)40(30-20-10-5-11-21-30,31-22-12-6-13-23-31)32-24-14-7-15-25-32/h5-29H,3-4H2,1-2H3
InChIKeyADWPRVBPYBJGCW-UHFFFAOYSA-N
MW575.63 g/mol
LogP5.99
Rot. Bonds9

About 2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide

2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide (PubChem CID 14169460) has the molecular formula C36H35NO2P2 and a molecular weight of 575.63 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
PubChem CID14169460
Molecular FormulaC36H35NO2P2
Molecular Weight575.63 g/mol
Exact Mass575.21
IUPAC Name2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
SMILESCCN(CC)C(=O)C(P(=O)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H35NO2P2/c1-3-37(4-2)35(38)36(41(39,33-26-16-8-17-27-33)34-28-18-9-19-29-34)40(30-20-10-5-11-21-30,31-22-12-6-13-23-31)32-24-14-7-15-25-32/h5-29H,3-4H2,1-2H3
InChIKeyADWPRVBPYBJGCW-UHFFFAOYSA-N
XLogP5.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.63
LogP ≤ 55.99
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

bis(diphenylphosphoryl)methylidene-triphenyl-λ5-phosphane
CID 4028958
2-diphenylphosphoryl-N,N-diethyl-2-phenylacetamide
CID 14897370
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N,N-dibutyl-1-diphenylphosphorylformamide
CID 15461320
1,1,3,3-tetrakis(diphenylphosphorylmethyl)urea
CID 164745970
CID 174412487
CID 174412487
tripotassium;N,N-diethylbenzamide;tritetrafluoroborate
CID 121234148
N',N'-diethyl-N-phenyloxamide
CID 14925038
2-diphenylphosphinothioyl-N,N-diethylpropanamide
CID 2828065
N,N'-dibenzyl-N,N'-diethylpentanediamide
CID 68902262
N,N-diethyl-2-oxo-4-phenylbut-3-enamide
CID 57095227
1,6-bis(diphenylphosphoryl)hexane-1,6-dione
CID 58792595

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The IUPAC name of 2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide (CID 14169460) is 2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The canonical SMILES for 2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide is CCN(CC)C(=O)C(P(=O)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
The InChIKey is ADWPRVBPYBJGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35NO2P2/c1-3-37(4-2)35(38)36(41(39,33-26-16-8-17-27-33)34-28-18-9-19-29-34)40(30-20-10-5-11-21-30,31-22-12-6-13-23-31)32-24-14-7-15-25-32/h5-29H,3-4H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide?
2-diphenylphosphoryl-N,N-diethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide has a molecular weight of 575.63 g/mol, XLogP of 5.99, 9 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-(triphenyl-lambda5-phosphanylidene)acetamide is sourced from PubChem (CID 14169460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).