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

C36H57N2O4P — CID 101372323

IUPAC2-[2-[(2-diphenylphosphorylacetyl)amino]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)COCC(C)(C)NC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H57N2O4P/c1-7-11-19-30(9-3)25-38(26-31(10-4)20-12-8-2)35(40)27-42-29-36(5,6)37-34(39)28-43(41,32-21-15-13-16-22-32)33-23-17-14-18-24-33/h13-18,21-24,30-31H,7-12,19-20,25-29H2,1-6H3,(H,37,39)
InChIKeyYMYCBWQFJSPEKU-UHFFFAOYSA-N
MW612.84 g/mol
LogP7.17
Rot. Bonds21

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

2-[2-[(2-diphenylphosphorylacetyl)amino]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide (PubChem CID 101372323) has the molecular formula C36H57N2O4P and a molecular weight of 612.84 g/mol. Its IUPAC name is 2-[2-[(2-diphenylphosphorylacetyl)amino]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide.

Molecular Properties

Compound Name2-[2-[(2-diphenylphosphorylacetyl)amino]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide
PubChem CID101372323
Molecular FormulaC36H57N2O4P
Molecular Weight612.84 g/mol
Exact Mass612.41
IUPAC Name2-[2-[(2-diphenylphosphorylacetyl)amino]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)COCC(C)(C)NC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C36H57N2O4P/c1-7-11-19-30(9-3)25-38(26-31(10-4)20-12-8-2)35(40)27-42-29-36(5,6)37-34(39)28-43(41,32-21-15-13-16-22-32)33-23-17-14-18-24-33/h13-18,21-24,30-31H,7-12,19-20,25-29H2,1-6H3,(H,37,39)
InChIKeyYMYCBWQFJSPEKU-UHFFFAOYSA-N
XLogP7.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.84
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[2-[(2-diphenylphosphorylacetyl)amino]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide?
The IUPAC name of 2-[2-[(2-diphenylphosphorylacetyl)amino]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide (CID 101372323) is 2-[2-[(2-diphenylphosphorylacetyl)amino]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide.
What is the SMILES notation for 2-[2-[(2-diphenylphosphorylacetyl)amino]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide?
The canonical SMILES for 2-[2-[(2-diphenylphosphorylacetyl)amino]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)COCC(C)(C)NC(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-[2-[(2-diphenylphosphorylacetyl)amino]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide?
The InChIKey is YMYCBWQFJSPEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H57N2O4P/c1-7-11-19-30(9-3)25-38(26-31(10-4)20-12-8-2)35(40)27-42-29-36(5,6)37-34(39)28-43(41,32-21-15-13-16-22-32)33-23-17-14-18-24-33/h13-18,21-24,30-31H,7-12,19-20,25-29H2,1-6H3,(H,37,39).
What are the key properties of 2-[2-[(2-diphenylphosphorylacetyl)amino]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide?
2-[2-[(2-diphenylphosphorylacetyl)amino]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide has a molecular weight of 612.84 g/mol, XLogP of 7.17, 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]-2-methylpropoxy]-N,N-bis(2-ethylhexyl)acetamide is sourced from PubChem (CID 101372323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).