1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium

C25H29NOP+ — CID 46933855

IUPAC1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium
SMILESCC(NC(=O)C(C)(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NOP/c1-20(26-24(27)25(2,3)4)28(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,1-4H3/p+1
InChIKeyUKPJMNUASDJSTP-UHFFFAOYSA-O
MW390.49 g/mol
LogP4.49
Rot. Bonds5

About 1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium

1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium (PubChem CID 46933855) has the molecular formula C25H29NOP+ and a molecular weight of 390.49 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium
PubChem CID46933855
Molecular FormulaC25H29NOP+
Molecular Weight390.49 g/mol
Exact Mass390.20
IUPAC Name1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium
SMILESCC(NC(=O)C(C)(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H28NOP/c1-20(26-24(27)25(2,3)4)28(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,1-4H3/p+1
InChIKeyUKPJMNUASDJSTP-UHFFFAOYSA-O
XLogP4.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Acetamide, 2-(diphenylphosphinyl)-N-ethyl-
CID 796967
(1-(Dimethylamino)-1-oxopropan-2-yl)triphenylphosphonium bromide
CID 24213348
((2,2-Dimethyl-propionylamino)-methyl)-triphenyl-phosphonium, chloride
CID 126959458
(1-(Dimethylcarbamoyl)ethyl)triphenylphosphonium bromide
CID 126960652
N-ethyl-5-(difenylfosfinyl)pentanamid
CID 169437460
N-[(2S,3S)-1-[bromo(triphenyl)-lambda5-phosphanyl]-3-methylpentan-2-yl]-2,2,2-trifluoroacetamide
CID 164677143
[(2S,3S)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]pentyl]-triphenylphosphanium bromide
CID 176425127
Methylcarbamoylmethyl-triphenyl-phosphonium chloride
CID 85777853
2-[chloro(triphenyl)-lambda5-phosphanyl]-N-methylacetamide
CID 134977828
(2,2-Dimethylpropanoylamino)methyl-triphenylphosphanium
CID 4061676
Triphenyl(pivalamidomethyl)phosphonium chloride
CID 11964999
Triphenyl-[2-[(2,2,2-trifluoroacetyl)amino]propyl]phosphanium iodide
CID 74081310

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium?
The IUPAC name of 1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium (CID 46933855) is 1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium.
What is the SMILES notation for 1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium?
The canonical SMILES for 1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium is CC(NC(=O)C(C)(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium?
The InChIKey is UKPJMNUASDJSTP-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H28NOP/c1-20(26-24(27)25(2,3)4)28(21-14-8-5-9-15-21,22-16-10-6-11-17-22)23-18-12-7-13-19-23/h5-20H,1-4H3/p+1.
What are the key properties of 1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium?
1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium has a molecular weight of 390.49 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoylamino)ethyl-triphenylphosphanium is sourced from PubChem (CID 46933855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).