tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate

C22H47NO3Sn — CID 72734261

IUPACtert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)CN(CCCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20NO3.3C4H9.Sn/c1-10(2,3)14-9(13)11(4)7-5-6-8-12;3*1-3-4-2;/h12H,4-8H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyVYBNOOQROSWVAG-UHFFFAOYSA-N
MW492.33 g/mol
LogP6.38
Rot. Bonds15

About tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate

tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate (PubChem CID 72734261) has the molecular formula C22H47NO3Sn and a molecular weight of 492.33 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate
PubChem CID72734261
Molecular FormulaC22H47NO3Sn
Molecular Weight492.33 g/mol
Exact Mass493.26
IUPAC Nametert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate
SMILESCCCC[Sn](CCCC)(CCCC)CN(CCCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C10H20NO3.3C4H9.Sn/c1-10(2,3)14-9(13)11(4)7-5-6-8-12;3*1-3-4-2;/h12H,4-8H2,1-3H3;3*1,3-4H2,2H3;
InChIKeyVYBNOOQROSWVAG-UHFFFAOYSA-N
XLogP6.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.33
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate?
The IUPAC name of tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate (CID 72734261) is tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate is CCCC[Sn](CCCC)(CCCC)CN(CCCCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate?
The InChIKey is VYBNOOQROSWVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20NO3.3C4H9.Sn/c1-10(2,3)14-9(13)11(4)7-5-6-8-12;3*1-3-4-2;/h12H,4-8H2,1-3H3;3*1,3-4H2,2H3;.
What are the key properties of tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate?
tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate has a molecular weight of 492.33 g/mol, XLogP of 6.38, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-hydroxybutyl)-N-(tributylstannylmethyl)carbamate is sourced from PubChem (CID 72734261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).