[2-(diethylamino)-2-oxoethyl]-triphenylphosphanium

C24H27NOP+ — CID 11341453

IUPAC[2-(diethylamino)-2-oxoethyl]-triphenylphosphanium
SMILESCCN(CC)C(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NOP/c1-3-25(4-2)24(26)20-27(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,3-4,20H2,1-2H3/q+1
InChIKeyWKHRTVYLNDZDJN-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.85
Rot. Bonds7

About [2-(diethylamino)-2-oxoethyl]-triphenylphosphanium

[2-(diethylamino)-2-oxoethyl]-triphenylphosphanium (PubChem CID 11341453) has the molecular formula C24H27NOP+ and a molecular weight of 376.46 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl]-triphenylphosphanium.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl]-triphenylphosphanium
PubChem CID11341453
Molecular FormulaC24H27NOP+
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[2-(diethylamino)-2-oxoethyl]-triphenylphosphanium
SMILESCCN(CC)C(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H27NOP/c1-3-25(4-2)24(26)20-27(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,3-4,20H2,1-2H3/q+1
InChIKeyWKHRTVYLNDZDJN-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(diethylamino)-2-(diphenylphosphoryl)-N,N-diethylpropanamide
CID 2879771
N-Methoxy-N-methyl(triphenylphosphoranylidene)acetamide
CID 2773656
Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
Acetamide, 2-(diphenylphosphinyl)-N,N-diethyl-
CID 796632
(2-Oxo-2-morpholino)ethyltriphenylphosphonium
CID 173753
2-(diphenylphosphoryl)-N,N-dipropylacetamide
CID 2193730
N,N-diethyl-2-[phenyl(propyl)phosphoryl]acetamide
CID 2241619
2-(Diphenyl-phosphinoyl)-1-piperidin-1-yl-ethanone
CID 611958
(2-(Dimethylamino)ethyl)triphenylphosphonium bromide
CID 2724136
[2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl](triphenyl)phosphanium bromide
CID 24197585
2-(Dimethylcarbamoyl)prop-2-enyl-triphenylphosphanium bromide
CID 164611581
N-(Triphenyl-lambda5-phosphanylidene)acetamide
CID 3896273

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl]-triphenylphosphanium?
The IUPAC name of [2-(diethylamino)-2-oxoethyl]-triphenylphosphanium (CID 11341453) is [2-(diethylamino)-2-oxoethyl]-triphenylphosphanium.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl]-triphenylphosphanium?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl]-triphenylphosphanium is CCN(CC)C(=O)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl]-triphenylphosphanium?
The InChIKey is WKHRTVYLNDZDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NOP/c1-3-25(4-2)24(26)20-27(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-19H,3-4,20H2,1-2H3/q+1.
What are the key properties of [2-(diethylamino)-2-oxoethyl]-triphenylphosphanium?
[2-(diethylamino)-2-oxoethyl]-triphenylphosphanium has a molecular weight of 376.46 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl]-triphenylphosphanium is sourced from PubChem (CID 11341453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).