2-diphenylphosphoryl-N-nonylacetamide

C23H32NO2P — CID 86087439

IUPAC2-diphenylphosphoryl-N-nonylacetamide
SMILESCCCCCCCCCNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32NO2P/c1-2-3-4-5-6-7-14-19-24-23(25)20-27(26,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h8-13,15-18H,2-7,14,19-20H2,1H3,(H,24,25)
InChIKeyGGGKWPGDSCWCBU-UHFFFAOYSA-N
MW385.49 g/mol
LogP4.87
Rot. Bonds12

About 2-diphenylphosphoryl-N-nonylacetamide

2-diphenylphosphoryl-N-nonylacetamide (PubChem CID 86087439) has the molecular formula C23H32NO2P and a molecular weight of 385.49 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N-nonylacetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N-nonylacetamide
PubChem CID86087439
Molecular FormulaC23H32NO2P
Molecular Weight385.49 g/mol
Exact Mass385.22
IUPAC Name2-diphenylphosphoryl-N-nonylacetamide
SMILESCCCCCCCCCNC(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H32NO2P/c1-2-3-4-5-6-7-14-19-24-23(25)20-27(26,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h8-13,15-18H,2-7,14,19-20H2,1H3,(H,24,25)
InChIKeyGGGKWPGDSCWCBU-UHFFFAOYSA-N
XLogP4.87
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-diphenylphosphoryl-N-nonylacetamide?
The IUPAC name of 2-diphenylphosphoryl-N-nonylacetamide (CID 86087439) is 2-diphenylphosphoryl-N-nonylacetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N-nonylacetamide?
The canonical SMILES for 2-diphenylphosphoryl-N-nonylacetamide is CCCCCCCCCNC(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N-nonylacetamide?
The InChIKey is GGGKWPGDSCWCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32NO2P/c1-2-3-4-5-6-7-14-19-24-23(25)20-27(26,21-15-10-8-11-16-21)22-17-12-9-13-18-22/h8-13,15-18H,2-7,14,19-20H2,1H3,(H,24,25).
What are the key properties of 2-diphenylphosphoryl-N-nonylacetamide?
2-diphenylphosphoryl-N-nonylacetamide has a molecular weight of 385.49 g/mol, XLogP of 4.87, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N-nonylacetamide is sourced from PubChem (CID 86087439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).