10-(carbamoylamino)oxydecyl-triphenylphosphanium

C29H38N2O2P+ — CID 174155032

IUPAC10-(carbamoylamino)oxydecyl-triphenylphosphanium
SMILESNC(=O)NOCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H37N2O2P/c30-29(32)31-33-24-16-5-3-1-2-4-6-17-25-34(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23H,1-6,16-17,24-25H2,(H2-,30,31,32)/p+1
InChIKeyQUTXVJJXZMMRID-UHFFFAOYSA-O
MW477.61 g/mol
LogP5.70
Rot. Bonds15

About 10-(carbamoylamino)oxydecyl-triphenylphosphanium

10-(carbamoylamino)oxydecyl-triphenylphosphanium (PubChem CID 174155032) has the molecular formula C29H38N2O2P+ and a molecular weight of 477.61 g/mol. Its IUPAC name is 10-(carbamoylamino)oxydecyl-triphenylphosphanium.

Molecular Properties

Compound Name10-(carbamoylamino)oxydecyl-triphenylphosphanium
PubChem CID174155032
Molecular FormulaC29H38N2O2P+
Molecular Weight477.61 g/mol
Exact Mass477.27
IUPAC Name10-(carbamoylamino)oxydecyl-triphenylphosphanium
SMILESNC(=O)NOCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H37N2O2P/c30-29(32)31-33-24-16-5-3-1-2-4-6-17-25-34(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23H,1-6,16-17,24-25H2,(H2-,30,31,32)/p+1
InChIKeyQUTXVJJXZMMRID-UHFFFAOYSA-O
XLogP5.70
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.61
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium
CID 171409767
20-(carbamoylamino)oxyicosyl-triphenylphosphanium
CID 174155052
9-acetyloxynonyl(triphenyl)phosphanium bromide
CID 11092632
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496
6-phenoxyhexyl(triphenyl)phosphanium
CID 71515133
8-(carboxyamino)octyl-triphenylphosphanium
CID 158859185
3-benzoyloxypropyl(triphenyl)phosphanium;hydrobromide
CID 126958911
9-carboxynonyl(triphenyl)phosphanium iodide
CID 126698035
7-(carboxyamino)heptyl-triphenylphosphanium bromide
CID 135362749
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851

Frequently Asked Questions

What is the IUPAC name of 10-(carbamoylamino)oxydecyl-triphenylphosphanium?
The IUPAC name of 10-(carbamoylamino)oxydecyl-triphenylphosphanium (CID 174155032) is 10-(carbamoylamino)oxydecyl-triphenylphosphanium.
What is the SMILES notation for 10-(carbamoylamino)oxydecyl-triphenylphosphanium?
The canonical SMILES for 10-(carbamoylamino)oxydecyl-triphenylphosphanium is NC(=O)NOCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-(carbamoylamino)oxydecyl-triphenylphosphanium?
The InChIKey is QUTXVJJXZMMRID-UHFFFAOYSA-O. The full InChI is InChI=1S/C29H37N2O2P/c30-29(32)31-33-24-16-5-3-1-2-4-6-17-25-34(26-18-10-7-11-19-26,27-20-12-8-13-21-27)28-22-14-9-15-23-28/h7-15,18-23H,1-6,16-17,24-25H2,(H2-,30,31,32)/p+1.
What are the key properties of 10-(carbamoylamino)oxydecyl-triphenylphosphanium?
10-(carbamoylamino)oxydecyl-triphenylphosphanium has a molecular weight of 477.61 g/mol, XLogP of 5.70, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(carbamoylamino)oxydecyl-triphenylphosphanium is sourced from PubChem (CID 174155032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).