3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide

C23H33N2O2P — CID 2879771

IUPAC3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide
SMILESCCN(CC)CC(C(=O)N(CC)CC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33N2O2P/c1-5-24(6-2)19-22(23(26)25(7-3)8-4)28(27,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22H,5-8,19H2,1-4H3
InChIKeyUYWFGOGKZMUZBS-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.58
Rot. Bonds10

About 3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide

3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide (PubChem CID 2879771) has the molecular formula C23H33N2O2P and a molecular weight of 400.50 g/mol. Its IUPAC name is 3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide
PubChem CID2879771
Molecular FormulaC23H33N2O2P
Molecular Weight400.50 g/mol
Exact Mass400.23
IUPAC Name3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide
SMILESCCN(CC)CC(C(=O)N(CC)CC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H33N2O2P/c1-5-24(6-2)19-22(23(26)25(7-3)8-4)28(27,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22H,5-8,19H2,1-4H3
InChIKeyUYWFGOGKZMUZBS-UHFFFAOYSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide?
The IUPAC name of 3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide (CID 2879771) is 3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide.
What is the SMILES notation for 3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide?
The canonical SMILES for 3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide is CCN(CC)CC(C(=O)N(CC)CC)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide?
The InChIKey is UYWFGOGKZMUZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N2O2P/c1-5-24(6-2)19-22(23(26)25(7-3)8-4)28(27,20-15-11-9-12-16-20)21-17-13-10-14-18-21/h9-18,22H,5-8,19H2,1-4H3.
What are the key properties of 3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide?
3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide has a molecular weight of 400.50 g/mol, XLogP of 3.58, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-2-diphenylphosphoryl-N,N-diethylpropanamide is sourced from PubChem (CID 2879771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).