2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide

C35H41NO3P2 — CID 166606955

IUPAC2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide
SMILESCCCCCCCCN(CP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H41NO3P2/c1-2-3-4-5-6-19-28-36(30-41(39,33-24-15-9-16-25-33)34-26-17-10-18-27-34)35(37)29-40(38,31-20-11-7-12-21-31)32-22-13-8-14-23-32/h7-18,20-27H,2-6,19,28-30H2,1H3
InChIKeyAAXWAXWYBNURRE-UHFFFAOYSA-N
MW585.67 g/mol
LogP7.16
Rot. Bonds15

About 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide

2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide (PubChem CID 166606955) has the molecular formula C35H41NO3P2 and a molecular weight of 585.67 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide
PubChem CID166606955
Molecular FormulaC35H41NO3P2
Molecular Weight585.67 g/mol
Exact Mass585.26
IUPAC Name2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide
SMILESCCCCCCCCN(CP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H41NO3P2/c1-2-3-4-5-6-19-28-36(30-41(39,33-24-15-9-16-25-33)34-26-17-10-18-27-34)35(37)29-40(38,31-20-11-7-12-21-31)32-22-13-8-14-23-32/h7-18,20-27H,2-6,19,28-30H2,1H3
InChIKeyAAXWAXWYBNURRE-UHFFFAOYSA-N
XLogP7.16
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.67
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
2-(Diphenyl-phosphinoyl)-1-piperidin-1-yl-ethanone
CID 611958
Acetamide, N,N-dibutyl-2-(diphenylphosphinyl)-
CID 4126391
N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide
CID 12025725
N,N-Dibutyl-2-[octyl(phenyl)phosphoryl]acetamide
CID 13972025
1,7-Bis(dibutylcarbamoyl)-1,7-bis(diphenylphosphinyl)heptane
CID 14897373
diphenyl-N,N-dioctylcarbamoylmethylphosphine oxide
CID 15773250
N,N'-bis(2-diphenylphosphinoylacetyl)piperazine
CID 20106196
N,N'-dicyclohexyl-N,N'-bis(diphenylphosphinoyl-acetyl)urea
CID 20106197
2,3-Bis(diphenylphosphinyl)propanoic acid di-butylamide
CID 20106200
9,16-Bis(diphenylphosphinoylacetyl)-9,16-diaza-tetracosane
CID 20106214
diphenylphosphorylacetic acid N-nonylamide
CID 86087439

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide?
The IUPAC name of 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide (CID 166606955) is 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide?
The canonical SMILES for 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide is CCCCCCCCN(CP(=O)(c1ccccc1)c1ccccc1)C(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide?
The InChIKey is AAXWAXWYBNURRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H41NO3P2/c1-2-3-4-5-6-19-28-36(30-41(39,33-24-15-9-16-25-33)34-26-17-10-18-27-34)35(37)29-40(38,31-20-11-7-12-21-31)32-22-13-8-14-23-32/h7-18,20-27H,2-6,19,28-30H2,1H3.
What are the key properties of 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide?
2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide has a molecular weight of 585.67 g/mol, XLogP of 7.16, 15 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N-(diphenylphosphorylmethyl)-N-octylacetamide is sourced from PubChem (CID 166606955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).