8-(carboxyamino)octyl-triphenylphosphanium

C27H33NO2P+ — CID 158859185

IUPAC8-(carboxyamino)octyl-triphenylphosphanium
SMILESO=C(O)NCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32NO2P/c29-27(30)28-22-14-3-1-2-4-15-23-31(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21,28H,1-4,14-15,22-23H2/p+1
InChIKeyJALBSRYIXFHVOA-UHFFFAOYSA-O
MW434.54 g/mol
LogP5.59
Rot. Bonds12

About 8-(carboxyamino)octyl-triphenylphosphanium

8-(carboxyamino)octyl-triphenylphosphanium (PubChem CID 158859185) has the molecular formula C27H33NO2P+ and a molecular weight of 434.54 g/mol. Its IUPAC name is 8-(carboxyamino)octyl-triphenylphosphanium.

Molecular Properties

Compound Name8-(carboxyamino)octyl-triphenylphosphanium
PubChem CID158859185
Molecular FormulaC27H33NO2P+
Molecular Weight434.54 g/mol
Exact Mass434.22
IUPAC Name8-(carboxyamino)octyl-triphenylphosphanium
SMILESO=C(O)NCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C27H32NO2P/c29-27(30)28-22-14-3-1-2-4-15-23-31(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21,28H,1-4,14-15,22-23H2/p+1
InChIKeyJALBSRYIXFHVOA-UHFFFAOYSA-O
XLogP5.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.54
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(carboxyamino)heptyl-triphenylphosphanium bromide
CID 135362749
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
triphenyl-[5-(pyridine-3-carbonylamino)pentyl]phosphanium
CID 169012759
10-[(3,4-dihydroxybenzoyl)amino]decyl-triphenylphosphanium bromide
CID 155520813
6-(chloroamino)hexyl-triphenylphosphanium
CID 87551290
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
8-phenyloctylcarbamic acid
CID 90271205
[6-(ethylamino)-6-oxohexyl]-triphenylphosphanium
CID 118603839
4-hydrazinylbutyl(triphenyl)phosphanium
CID 89167956
10-[3-(3,4-dihydroxyphenyl)propanoylamino]decyl-triphenylphosphanium
CID 155518953
N-(2-triphenylphosphaniumylethyl)carbamate
CID 87554015
11-fluoroundecyl(triphenyl)phosphanium;methanesulfonic acid
CID 86678023

Frequently Asked Questions

What is the IUPAC name of 8-(carboxyamino)octyl-triphenylphosphanium?
The IUPAC name of 8-(carboxyamino)octyl-triphenylphosphanium (CID 158859185) is 8-(carboxyamino)octyl-triphenylphosphanium.
What is the SMILES notation for 8-(carboxyamino)octyl-triphenylphosphanium?
The canonical SMILES for 8-(carboxyamino)octyl-triphenylphosphanium is O=C(O)NCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 8-(carboxyamino)octyl-triphenylphosphanium?
The InChIKey is JALBSRYIXFHVOA-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H32NO2P/c29-27(30)28-22-14-3-1-2-4-15-23-31(24-16-8-5-9-17-24,25-18-10-6-11-19-25)26-20-12-7-13-21-26/h5-13,16-21,28H,1-4,14-15,22-23H2/p+1.
What are the key properties of 8-(carboxyamino)octyl-triphenylphosphanium?
8-(carboxyamino)octyl-triphenylphosphanium has a molecular weight of 434.54 g/mol, XLogP of 5.59, 12 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(carboxyamino)octyl-triphenylphosphanium is sourced from PubChem (CID 158859185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).