2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide

C49H67N3O6P2 — CID 102252258

IUPAC2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)COC(CNC(=O)CP(=O)(c1ccccc1)c1ccccc1)CNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C49H67N3O6P2/c1-5-9-23-40(7-3)35-52(36-41(8-4)24-10-6-2)49(55)37-58-42(33-50-47(53)38-59(56,43-25-15-11-16-26-43)44-27-17-12-18-28-44)34-51-48(54)39-60(57,45-29-19-13-20-30-45)46-31-21-14-22-32-46/h11-22,25-32,40-42H,5-10,23-24,33-39H2,1-4H3,(H,50,53)(H,51,54)
InChIKeyZGXGDIRYUXCJGU-UHFFFAOYSA-N
MW856.04 g/mol
LogP7.89
Rot. Bonds27

About 2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide

2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide (PubChem CID 102252258) has the molecular formula C49H67N3O6P2 and a molecular weight of 856.04 g/mol. Its IUPAC name is 2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide
PubChem CID102252258
Molecular FormulaC49H67N3O6P2
Molecular Weight856.04 g/mol
Exact Mass855.45
IUPAC Name2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)COC(CNC(=O)CP(=O)(c1ccccc1)c1ccccc1)CNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C49H67N3O6P2/c1-5-9-23-40(7-3)35-52(36-41(8-4)24-10-6-2)49(55)37-58-42(33-50-47(53)38-59(56,43-25-15-11-16-26-43)44-27-17-12-18-28-44)34-51-48(54)39-60(57,45-29-19-13-20-30-45)46-31-21-14-22-32-46/h11-22,25-32,40-42H,5-10,23-24,33-39H2,1-4H3,(H,50,53)(H,51,54)
InChIKeyZGXGDIRYUXCJGU-UHFFFAOYSA-N
XLogP7.89
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds27
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500856.04
LogP ≤ 57.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide?
The IUPAC name of 2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide (CID 102252258) is 2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide?
The canonical SMILES for 2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)COC(CNC(=O)CP(=O)(c1ccccc1)c1ccccc1)CNC(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide?
The InChIKey is ZGXGDIRYUXCJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H67N3O6P2/c1-5-9-23-40(7-3)35-52(36-41(8-4)24-10-6-2)49(55)37-58-42(33-50-47(53)38-59(56,43-25-15-11-16-26-43)44-27-17-12-18-28-44)34-51-48(54)39-60(57,45-29-19-13-20-30-45)46-31-21-14-22-32-46/h11-22,25-32,40-42H,5-10,23-24,33-39H2,1-4H3,(H,50,53)(H,51,54).
What are the key properties of 2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide?
2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide has a molecular weight of 856.04 g/mol, XLogP of 7.89, 27 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-bis[(2-diphenylphosphorylacetyl)amino]propan-2-yloxy]-N,N-bis(2-ethylhexyl)acetamide is sourced from PubChem (CID 102252258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).