[2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide

C24H27AsBrNO — CID 71339677

IUPAC[2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide
SMILESCC(C)CNC(=O)C[As+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C24H26AsNO.BrH/c1-20(2)19-26-24(27)18-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20H,18-19H2,1-2H3;1H
InChIKeyJHSFZEFKIHABBF-UHFFFAOYSA-N
MW500.31 g/mol
LogP-0.07
Rot. Bonds7

About [2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide

[2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide (PubChem CID 71339677) has the molecular formula C24H27AsBrNO and a molecular weight of 500.31 g/mol. Its IUPAC name is [2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide.

Molecular Properties

Compound Name[2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide
PubChem CID71339677
Molecular FormulaC24H27AsBrNO
Molecular Weight500.31 g/mol
Exact Mass499.05
IUPAC Name[2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide
SMILESCC(C)CNC(=O)C[As+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
InChIInChI=1S/C24H26AsNO.BrH/c1-20(2)19-26-24(27)18-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20H,18-19H2,1-2H3;1H
InChIKeyJHSFZEFKIHABBF-UHFFFAOYSA-N
XLogP-0.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.31
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[bromo(triphenyl)-lambda5-arsanyl]-N-(2-methylpropyl)acetamide
CID 14188009
1-(2,2-Dimethylpropanoylamino)ethyl-triphenylphosphanium
CID 46933855
[(4E,6E)-8-(2-methylpropylamino)-8-oxoocta-4,6-dienyl]-triphenylphosphanium
CID 134844284
N-(3-triphenylstannylpropyl)acetamide
CID 313428
[2-(2-Methylpropylamino)-2-oxoethyl]-triphenylphosphanium chloride
CID 10993311
2-[chloro(triphenyl)-lambda5-phosphanyl]-N-(2-methylpropyl)acetamide
CID 12917275
(N-n-Butylcarbamoyl)methyltriphenylphosphonium Chloride
CID 19603925
N-propan-2-yl-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 19906175
N-propyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 19906205
N-ethyl-2-(triphenyl-lambda5-phosphanylidene)acetamide
CID 54380321
3-Acetamidopropyl(triphenyl)phosphanium
CID 89191881
3-(2-Methylpropanoylamino)propyl-triphenylphosphanium
CID 135271358

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide?
The IUPAC name of [2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide (CID 71339677) is [2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide.
What is the SMILES notation for [2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide?
The canonical SMILES for [2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide is CC(C)CNC(=O)C[As+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].
What is the InChIKey of [2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide?
The InChIKey is JHSFZEFKIHABBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26AsNO.BrH/c1-20(2)19-26-24(27)18-25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20H,18-19H2,1-2H3;1H.
What are the key properties of [2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide?
[2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide has a molecular weight of 500.31 g/mol, XLogP of -0.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylamino)-2-oxoethyl]-triphenylarsanium bromide is sourced from PubChem (CID 71339677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).