N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide

C96H168N4O8P4 — CID 139082492

IUPACN,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide
SMILESCCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1.CCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1.CCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1.CCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1
InChIInChI=1S/4C24H42NO2P/c4*1-6-7-8-9-10-14-17-28(27,23-15-12-11-13-16-23)20-24(26)25(18-21(2)3)19-22(4)5/h4*11-13,15-16,21-22H,6-10,14,17-20H2,1-5H3/t4*28-/m0000/s1
InChIKeyPXFAAUZLSBOGDG-FWMFWTKHSA-N
MW1630.32 g/mol
LogP24.70
Rot. Bonds56

About N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide

N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide (PubChem CID 139082492) has the molecular formula C96H168N4O8P4 and a molecular weight of 1630.32 g/mol. Its IUPAC name is N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide.

Molecular Properties

Compound NameN,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide
PubChem CID139082492
Molecular FormulaC96H168N4O8P4
Molecular Weight1630.32 g/mol
Exact Mass1629.18
IUPAC NameN,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide
SMILESCCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1.CCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1.CCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1.CCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1
InChIInChI=1S/4C24H42NO2P/c4*1-6-7-8-9-10-14-17-28(27,23-15-12-11-13-16-23)20-24(26)25(18-21(2)3)19-22(4)5/h4*11-13,15-16,21-22H,6-10,14,17-20H2,1-5H3/t4*28-/m0000/s1
InChIKeyPXFAAUZLSBOGDG-FWMFWTKHSA-N
XLogP24.70
TPSA149.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds56
Heavy Atoms112
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001630.32
LogP ≤ 524.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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

N,N-bis(2-diphenylphosphanylethyl)-2,2-dimethylpropanamide
CID 12025725
1,7-Bis(dibutylcarbamoyl)-1,7-bis(diphenylphosphinyl)heptane
CID 14897373
N,N'-bis(2-diphenylphosphinoylacetyl)piperazine
CID 20106196
2,3-Bis(diphenylphosphinyl)propanoic acid di-butylamide
CID 20106200
9,16-Bis(diphenylphosphinoylacetyl)-9,16-diaza-tetracosane
CID 20106214
4,7-Bis(diphenylphosphinoylacetyl)-4,7-diazadecane
CID 129767497
5,8-Dimethyl-2,11-bis(diphenylphosphinoylacetyl)-2,5,8,11-tetraazadodecane
CID 129767749
N-methyl-N-[2-(diphenylphosphoryl)ethyl]diphenylphosphorylacetamide
CID 155490784
N-ethyl-N-(diphenylphosphinylmethyl)diphenylphosphinylacetamide
CID 166606910
N-isopropyl-N-(diphenylphosphinylmethyl)diphenylphosphinylacetamide
CID 166606918
N-butyl-N-(diphenylphosphinylmethyl)diphenylphosphinylacetamide
CID 166606934
N-octyl-N-(diphenylphosphinylmethyl)diphenylphosphinylacetamide
CID 166606955

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide?
The IUPAC name of N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide (CID 139082492) is N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide.
What is the SMILES notation for N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide?
The canonical SMILES for N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide is CCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1.CCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1.CCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1.CCCCCCCC[P@](=O)(CC(=O)N(CC(C)C)CC(C)C)c1ccccc1.
What is the InChIKey of N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide?
The InChIKey is PXFAAUZLSBOGDG-FWMFWTKHSA-N. The full InChI is InChI=1S/4C24H42NO2P/c4*1-6-7-8-9-10-14-17-28(27,23-15-12-11-13-16-23)20-24(26)25(18-21(2)3)19-22(4)5/h4*11-13,15-16,21-22H,6-10,14,17-20H2,1-5H3/t4*28-/m0000/s1.
What are the key properties of N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide?
N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide has a molecular weight of 1630.32 g/mol, XLogP of 24.70, 56 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-methylpropyl)-2-[octyl(phenyl)phosphoryl]acetamide is sourced from PubChem (CID 139082492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).