[butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate

C28H35N2O4Sb — CID 16686392

IUPAC[butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate
SMILESCCCCNC(=O)O[Sb](OC(=O)NCCCC)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.2C5H11NO2.Sb/c3*1-2-4-6-5-3-1;2*1-2-3-4-6-5(7)8;/h3*1-5H;2*6H,2-4H2,1H3,(H,7,8);/q;;;;;+2/p-2
InChIKeyFUQJWBRODZBJLZ-UHFFFAOYSA-L
MW585.36 g/mol
LogP4.16
Rot. Bonds11

About [butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate

[butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate (PubChem CID 16686392) has the molecular formula C28H35N2O4Sb and a molecular weight of 585.36 g/mol. Its IUPAC name is [butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate.

Molecular Properties

Compound Name[butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate
PubChem CID16686392
Molecular FormulaC28H35N2O4Sb
Molecular Weight585.36 g/mol
Exact Mass584.16
IUPAC Name[butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate
SMILESCCCCNC(=O)O[Sb](OC(=O)NCCCC)(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.2C5H11NO2.Sb/c3*1-2-4-6-5-3-1;2*1-2-3-4-6-5(7)8;/h3*1-5H;2*6H,2-4H2,1H3,(H,7,8);/q;;;;;+2/p-2
InChIKeyFUQJWBRODZBJLZ-UHFFFAOYSA-L
XLogP4.16
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500585.36
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 20378043
N-(1-triphenylphosphaniumylethyl)carbamate
CID 87554013
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CID 87554015
benzene;1,3-dimethylurea;methyl N-methylcarbamate;propane
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benzene;1,3-dimethylurea;ethane;methyl N-methylcarbamate
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1-(Carboxyamino)heptyl-triphenylphosphanium;hydrobromide
CID 135362751
6-[Bromo(triphenyl)-lambda5-phosphanyl]hexylcarbamic acid
CID 142458598
N-(1-triphenylphosphaniumylpropan-2-yl)carbamate
CID 146440989
6-(Carboxyamino)hexyl-triphenylphosphanium bromide
CID 158747681
Benzene;hexylcarbamic acid
CID 160851760
carbon dioxide;ethane;ethene;methane;2-phenylethanamine;2-phenylethylazanium;N-(2-phenylethyl)carbamate
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CID 162143975

Frequently Asked Questions

What is the IUPAC name of [butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate?
The IUPAC name of [butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate (CID 16686392) is [butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate.
What is the SMILES notation for [butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate?
The canonical SMILES for [butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate is CCCCNC(=O)O[Sb](OC(=O)NCCCC)(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of [butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate?
The InChIKey is FUQJWBRODZBJLZ-UHFFFAOYSA-L. The full InChI is InChI=1S/3C6H5.2C5H11NO2.Sb/c3*1-2-4-6-5-3-1;2*1-2-3-4-6-5(7)8;/h3*1-5H;2*6H,2-4H2,1H3,(H,7,8);/q;;;;;+2/p-2.
What are the key properties of [butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate?
[butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate has a molecular weight of 585.36 g/mol, XLogP of 4.16, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [butylcarbamoyloxy(triphenyl)-λ5-stibanyl] N-butylcarbamate is sourced from PubChem (CID 16686392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).