10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium

C30H39N3O3P+ — CID 174198236

IUPAC10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium
SMILESO=C(NO)NC(=O)NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38N3O3P/c34-29(32-30(35)33-36)31-24-16-5-3-1-2-4-6-17-25-37(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,(H3-,31,32,33,34,35,36)/p+1
InChIKeyMBBRBAOEZFQOKL-UHFFFAOYSA-O
MW520.63 g/mol
LogP5.50
Rot. Bonds14

About 10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium

10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium (PubChem CID 174198236) has the molecular formula C30H39N3O3P+ and a molecular weight of 520.63 g/mol. Its IUPAC name is 10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium.

Molecular Properties

Compound Name10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium
PubChem CID174198236
Molecular FormulaC30H39N3O3P+
Molecular Weight520.63 g/mol
Exact Mass520.27
IUPAC Name10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium
SMILESO=C(NO)NC(=O)NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C30H38N3O3P/c34-29(32-30(35)33-36)31-24-16-5-3-1-2-4-6-17-25-37(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,(H3-,31,32,33,34,35,36)/p+1
InChIKeyMBBRBAOEZFQOKL-UHFFFAOYSA-O
XLogP5.50
TPSA90.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500520.63
LogP ≤ 55.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[10-(Hydroxycarbamoylcarbamoylamino)decyl-triphenyl-lambda5-phosphanyl] 2,2,2-trifluoroacetate
CID 164601062
Triphenyl-[10-[(2,2,2-trifluoroacetyl)oxycarbamoylcarbamoylamino]decyl]phosphanium
CID 174155062
10-(Hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium;2,2,2-trifluoroacetate
CID 174198235
8-[Bromo(triphenyl)-lambda5-phosphanyl]octylcarbamic acid
CID 142458597
9-[Bromo(triphenyl)-lambda5-phosphanyl]nonylcarbamic acid
CID 142458601
10-[Bromo(triphenyl)-lambda5-phosphanyl]decylcarbamic acid
CID 142458604
8-(Carboxyamino)octyl-triphenylphosphanium bromide
CID 158860457
10-(Carboxyamino)decyl-triphenylphosphanium bromide
CID 161633804
1-(10-Diphenylphosphanyldecyl)-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 15848110
8-(Carboxyamino)octyl-triphenylphosphanium
CID 158859185
10-(Carboxyamino)decyl-triphenylphosphanium
CID 161633805
1-diphenylphosphanyl-N-hexyl-N-(hexylcarbamoyl)formamide
CID 177433281

Frequently Asked Questions

What is the IUPAC name of 10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium?
The IUPAC name of 10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium (CID 174198236) is 10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium.
What is the SMILES notation for 10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium?
The canonical SMILES for 10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium is O=C(NO)NC(=O)NCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium?
The InChIKey is MBBRBAOEZFQOKL-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H38N3O3P/c34-29(32-30(35)33-36)31-24-16-5-3-1-2-4-6-17-25-37(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,(H3-,31,32,33,34,35,36)/p+1.
What are the key properties of 10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium?
10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium has a molecular weight of 520.63 g/mol, XLogP of 5.50, 14 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(hydroxycarbamoylcarbamoylamino)decyl-triphenylphosphanium is sourced from PubChem (CID 174198236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).