18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium

C37H54N2O2P+ — CID 171409767

IUPAC18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium
SMILESNC(=O)NOCCCCCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H53N2O2P/c38-37(40)39-41-32-24-13-11-9-7-5-3-1-2-4-6-8-10-12-14-25-33-42(34-26-18-15-19-27-34,35-28-20-16-21-29-35)36-30-22-17-23-31-36/h15-23,26-31H,1-14,24-25,32-33H2,(H2-,38,39,40)/p+1
InChIKeyKOAYCBXDQDZXTJ-UHFFFAOYSA-O
MW589.83 g/mol
LogP8.82
Rot. Bonds23

About 18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium

18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium (PubChem CID 171409767) has the molecular formula C37H54N2O2P+ and a molecular weight of 589.83 g/mol. Its IUPAC name is 18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium.

Molecular Properties

Compound Name18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium
PubChem CID171409767
Molecular FormulaC37H54N2O2P+
Molecular Weight589.83 g/mol
Exact Mass589.39
IUPAC Name18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium
SMILESNC(=O)NOCCCCCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H53N2O2P/c38-37(40)39-41-32-24-13-11-9-7-5-3-1-2-4-6-8-10-12-14-25-33-42(34-26-18-15-19-27-34,35-28-20-16-21-29-35)36-30-22-17-23-31-36/h15-23,26-31H,1-14,24-25,32-33H2,(H2-,38,39,40)/p+1
InChIKeyKOAYCBXDQDZXTJ-UHFFFAOYSA-O
XLogP8.82
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds23
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.83
LogP ≤ 58.82
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'}

Analyze 18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

10-(carbamoylamino)oxydecyl-triphenylphosphanium
CID 174155032
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
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
7-(carboxyamino)heptyl-triphenylphosphanium bromide
CID 135362749

Frequently Asked Questions

What is the IUPAC name of 18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium?
The IUPAC name of 18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium (CID 171409767) is 18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium.
What is the SMILES notation for 18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium?
The canonical SMILES for 18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium is NC(=O)NOCCCCCCCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium?
The InChIKey is KOAYCBXDQDZXTJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C37H53N2O2P/c38-37(40)39-41-32-24-13-11-9-7-5-3-1-2-4-6-8-10-12-14-25-33-42(34-26-18-15-19-27-34,35-28-20-16-21-29-35)36-30-22-17-23-31-36/h15-23,26-31H,1-14,24-25,32-33H2,(H2-,38,39,40)/p+1.
What are the key properties of 18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium?
18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium has a molecular weight of 589.83 g/mol, XLogP of 8.82, 23 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-(carbamoylamino)oxyoctadecyl-triphenylphosphanium is sourced from PubChem (CID 171409767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).