2-diphenylphosphoryl-N,N-dipropylacetamide

C20H26NO2P — CID 2193730

IUPAC2-diphenylphosphoryl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26NO2P/c1-3-15-21(16-4-2)20(22)17-24(23,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3
InChIKeyHABRPZBZJDNGFJ-UHFFFAOYSA-N
MW343.41 g/mol
LogP3.65
Rot. Bonds8

About 2-diphenylphosphoryl-N,N-dipropylacetamide

2-diphenylphosphoryl-N,N-dipropylacetamide (PubChem CID 2193730) has the molecular formula C20H26NO2P and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N,N-dipropylacetamide
PubChem CID2193730
Molecular FormulaC20H26NO2P
Molecular Weight343.41 g/mol
Exact Mass343.17
IUPAC Name2-diphenylphosphoryl-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H26NO2P/c1-3-15-21(16-4-2)20(22)17-24(23,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3
InChIKeyHABRPZBZJDNGFJ-UHFFFAOYSA-N
XLogP3.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-diphenylphosphoryl-N,N-dipropylacetamide?
The IUPAC name of 2-diphenylphosphoryl-N,N-dipropylacetamide (CID 2193730) is 2-diphenylphosphoryl-N,N-dipropylacetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N,N-dipropylacetamide?
The canonical SMILES for 2-diphenylphosphoryl-N,N-dipropylacetamide is CCCN(CCC)C(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N,N-dipropylacetamide?
The InChIKey is HABRPZBZJDNGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26NO2P/c1-3-15-21(16-4-2)20(22)17-24(23,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14H,3-4,15-17H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-N,N-dipropylacetamide?
2-diphenylphosphoryl-N,N-dipropylacetamide has a molecular weight of 343.41 g/mol, XLogP of 3.65, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N,N-dipropylacetamide is sourced from PubChem (CID 2193730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).