2-diphenylphosphoryl-N,N-diethylacetamide

C18H22NO2P — CID 796632

IUPAC2-diphenylphosphoryl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NO2P/c1-3-19(4-2)18(20)15-22(21,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKeyQUTVNRNRHMSRNE-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.87
Rot. Bonds6

About 2-diphenylphosphoryl-N,N-diethylacetamide

2-diphenylphosphoryl-N,N-diethylacetamide (PubChem CID 796632) has the molecular formula C18H22NO2P and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N,N-diethylacetamide.

Molecular Properties

Compound Name2-diphenylphosphoryl-N,N-diethylacetamide
PubChem CID796632
Molecular FormulaC18H22NO2P
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name2-diphenylphosphoryl-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H22NO2P/c1-3-19(4-2)18(20)15-22(21,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3
InChIKeyQUTVNRNRHMSRNE-UHFFFAOYSA-N
XLogP2.87
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(diphenylphosphoryl)-N-ethylacetamide
CID 796967
2-(diphenylphosphoryl)-N,N-diethylethanamine
CID 785453
3-(diethylamino)-2-(diphenylphosphoryl)-N,N-diethylpropanamide
CID 2879771
octyl(phenyl)-N,N-diisobutylcarbamoylmethylphosphine oxide
CID 158335
1-(diphenylphosphoryl)-N,N-diethylcyclobutanecarboxamide
CID 1046768
2-Diphenylphosphoryl-1-morpholin-4-ylethanone
CID 608571
3-(Diphenylphosphoryl)-N,N-dimethylpropan-1-amine
CID 120484
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
N,N-dibutyl-1-(diphenylphosphoryl)cyclobutanecarboxamide
CID 1909338
N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide
CID 2241619
2-(Diphenyl-phosphinoyl)-1-piperidin-1-yl-ethanone
CID 611958
N-[(diphenylphosphoryl)methyl]-N-ethylethanamine
CID 796655

Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-N,N-diethylacetamide?
The IUPAC name of 2-diphenylphosphoryl-N,N-diethylacetamide (CID 796632) is 2-diphenylphosphoryl-N,N-diethylacetamide.
What is the SMILES notation for 2-diphenylphosphoryl-N,N-diethylacetamide?
The canonical SMILES for 2-diphenylphosphoryl-N,N-diethylacetamide is CCN(CC)C(=O)CP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N,N-diethylacetamide?
The InChIKey is QUTVNRNRHMSRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO2P/c1-3-19(4-2)18(20)15-22(21,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-N,N-diethylacetamide?
2-diphenylphosphoryl-N,N-diethylacetamide has a molecular weight of 315.35 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N,N-diethylacetamide is sourced from PubChem (CID 796632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).