tert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate

C26H35BrN2O2Si — CID 101436042

IUPACtert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)c1cn([Si](C)(C)C(C)(C)C)c2ccc(Br)cc12
InChIInChI=1S/C26H35BrN2O2Si/c1-25(2,3)31-24(30)28-23(18-12-10-9-11-13-18)21-17-29(32(7,8)26(4,5)6)22-15-14-19(27)16-20(21)22/h9-17,23H,1-8H3,(H,28,30)
InChIKeyRJHOWGFCYWATHK-UHFFFAOYSA-N
MW515.57 g/mol
LogP7.87
Rot. Bonds4

About tert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate

tert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate (PubChem CID 101436042) has the molecular formula C26H35BrN2O2Si and a molecular weight of 515.57 g/mol. Its IUPAC name is tert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate
PubChem CID101436042
Molecular FormulaC26H35BrN2O2Si
Molecular Weight515.57 g/mol
Exact Mass514.17
IUPAC Nametert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate
SMILESCC(C)(C)OC(=O)NC(c1ccccc1)c1cn([Si](C)(C)C(C)(C)C)c2ccc(Br)cc12
InChIInChI=1S/C26H35BrN2O2Si/c1-25(2,3)31-24(30)28-23(18-12-10-9-11-13-18)21-17-29(32(7,8)26(4,5)6)22-15-14-19(27)16-20(21)22/h9-17,23H,1-8H3,(H,28,30)
InChIKeyRJHOWGFCYWATHK-UHFFFAOYSA-N
XLogP7.87
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.57
LogP ≤ 57.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate?
The IUPAC name of tert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate (CID 101436042) is tert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate is CC(C)(C)OC(=O)NC(c1ccccc1)c1cn([Si](C)(C)C(C)(C)C)c2ccc(Br)cc12.
What is the InChIKey of tert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate?
The InChIKey is RJHOWGFCYWATHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35BrN2O2Si/c1-25(2,3)31-24(30)28-23(18-12-10-9-11-13-18)21-17-29(32(7,8)26(4,5)6)22-15-14-19(27)16-20(21)22/h9-17,23H,1-8H3,(H,28,30).
What are the key properties of tert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate?
tert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate has a molecular weight of 515.57 g/mol, XLogP of 7.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-bromo-1-[tert-butyl(dimethyl)silyl]indol-3-yl]-phenylmethyl]carbamate is sourced from PubChem (CID 101436042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).