2-diphenylphosphoryl-N,N-dioctylacetamide

C30H46NO2P — CID 15773250

IUPAC2-diphenylphosphoryl-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H46NO2P/c1-3-5-7-9-11-19-25-31(26-20-12-10-8-6-4-2)30(32)27-34(33,28-21-15-13-16-22-28)29-23-17-14-18-24-29/h13-18,21-24H,3-12,19-20,25-27H2,1-2H3
InChIKeyAXTVLAWULKSAHW-UHFFFAOYSA-N
MW483.68 g/mol
LogP7.55
Rot. Bonds18

About 2-diphenylphosphoryl-N,N-dioctylacetamide

2-diphenylphosphoryl-N,N-dioctylacetamide (PubChem CID 15773250) has the molecular formula C30H46NO2P and a molecular weight of 483.68 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N,N-dioctylacetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N,N-dioctylacetamide
PubChem CID15773250
Molecular FormulaC30H46NO2P
Molecular Weight483.68 g/mol
Exact Mass483.33
IUPAC Name2-diphenylphosphoryl-N,N-dioctylacetamide
SMILESCCCCCCCCN(CCCCCCCC)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H46NO2P/c1-3-5-7-9-11-19-25-31(26-20-12-10-8-6-4-2)30(32)27-34(33,28-21-15-13-16-22-28)29-23-17-14-18-24-29/h13-18,21-24H,3-12,19-20,25-27H2,1-2H3
InChIKeyAXTVLAWULKSAHW-UHFFFAOYSA-N
XLogP7.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.68
LogP ≤ 57.55
H-Bond Donors ≤ 50
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,N-dioctylacetamide?
The IUPAC name of 2-diphenylphosphoryl-N,N-dioctylacetamide (CID 15773250) is 2-diphenylphosphoryl-N,N-dioctylacetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N,N-dioctylacetamide?
The canonical SMILES for 2-diphenylphosphoryl-N,N-dioctylacetamide is CCCCCCCCN(CCCCCCCC)C(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N,N-dioctylacetamide?
The InChIKey is AXTVLAWULKSAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H46NO2P/c1-3-5-7-9-11-19-25-31(26-20-12-10-8-6-4-2)30(32)27-34(33,28-21-15-13-16-22-28)29-23-17-14-18-24-29/h13-18,21-24H,3-12,19-20,25-27H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-N,N-dioctylacetamide?
2-diphenylphosphoryl-N,N-dioctylacetamide has a molecular weight of 483.68 g/mol, XLogP of 7.55, 18 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N,N-dioctylacetamide is sourced from PubChem (CID 15773250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).