tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate

C35H48N2O3Si — CID 170594522

IUPACtert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCN(CC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C35H48N2O3Si/c1-34(2,3)40-33(38)36(7)26-29-23-24-30(37(29)25-28-17-11-8-12-18-28)27-39-41(35(4,5)6,31-19-13-9-14-20-31)32-21-15-10-16-22-32/h8-22,29-30H,23-27H2,1-7H3
InChIKeyFKPBBBJFKULAPO-UHFFFAOYSA-N
MW572.87 g/mol
LogP6.46
Rot. Bonds9

About tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate

tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate (PubChem CID 170594522) has the molecular formula C35H48N2O3Si and a molecular weight of 572.87 g/mol. Its IUPAC name is tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
PubChem CID170594522
Molecular FormulaC35H48N2O3Si
Molecular Weight572.87 g/mol
Exact Mass572.34
IUPAC Nametert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate
SMILESCN(CC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1Cc1ccccc1)C(=O)OC(C)(C)C
InChIInChI=1S/C35H48N2O3Si/c1-34(2,3)40-33(38)36(7)26-29-23-24-30(37(29)25-28-17-11-8-12-18-28)27-39-41(35(4,5)6,31-19-13-9-14-20-31)32-21-15-10-16-22-32/h8-22,29-30H,23-27H2,1-7H3
InChIKeyFKPBBBJFKULAPO-UHFFFAOYSA-N
XLogP6.46
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.87
LogP ≤ 56.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate (CID 170594522) is tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate is CN(CC1CCC(CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)N1Cc1ccccc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate?
The InChIKey is FKPBBBJFKULAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H48N2O3Si/c1-34(2,3)40-33(38)36(7)26-29-23-24-30(37(29)25-28-17-11-8-12-18-28)27-39-41(35(4,5)6,31-19-13-9-14-20-31)32-21-15-10-16-22-32/h8-22,29-30H,23-27H2,1-7H3.
What are the key properties of tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate?
tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate has a molecular weight of 572.87 g/mol, XLogP of 6.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-yl]methyl]-N-methylcarbamate is sourced from PubChem (CID 170594522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).