2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide

C34H53N2O4P — CID 101372321

IUPAC2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)COCCNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H53N2O4P/c1-5-9-17-29(7-3)25-36(26-30(8-4)18-10-6-2)34(38)27-40-24-23-35-33(37)28-41(39,31-19-13-11-14-20-31)32-21-15-12-16-22-32/h11-16,19-22,29-30H,5-10,17-18,23-28H2,1-4H3,(H,35,37)
InChIKeyADNJLBYMDLHVFN-UHFFFAOYSA-N
MW584.78 g/mol
LogP6.39
Rot. Bonds21

About 2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide

2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide (PubChem CID 101372321) has the molecular formula C34H53N2O4P and a molecular weight of 584.78 g/mol. Its IUPAC name is 2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide
PubChem CID101372321
Molecular FormulaC34H53N2O4P
Molecular Weight584.78 g/mol
Exact Mass584.37
IUPAC Name2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)COCCNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C34H53N2O4P/c1-5-9-17-29(7-3)25-36(26-30(8-4)18-10-6-2)34(38)27-40-24-23-35-33(37)28-41(39,31-19-13-11-14-20-31)32-21-15-12-16-22-32/h11-16,19-22,29-30H,5-10,17-18,23-28H2,1-4H3,(H,35,37)
InChIKeyADNJLBYMDLHVFN-UHFFFAOYSA-N
XLogP6.39
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.78
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide?
The IUPAC name of 2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide (CID 101372321) is 2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide?
The canonical SMILES for 2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)COCCNC(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide?
The InChIKey is ADNJLBYMDLHVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H53N2O4P/c1-5-9-17-29(7-3)25-36(26-30(8-4)18-10-6-2)34(38)27-40-24-23-35-33(37)28-41(39,31-19-13-11-14-20-31)32-21-15-12-16-22-32/h11-16,19-22,29-30H,5-10,17-18,23-28H2,1-4H3,(H,35,37).
What are the key properties of 2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide?
2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide has a molecular weight of 584.78 g/mol, XLogP of 6.39, 21 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-diphenylphosphorylacetyl)amino]ethoxy]-N,N-bis(2-ethylhexyl)acetamide is sourced from PubChem (CID 101372321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).