tert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate

C28H41N3O4Si — CID 86604036

IUPACtert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCn1ccc2c(O[Si](C)(C)C(C)(C)C)cccc21)C[C@H](O)c1cccnc1
InChIInChI=1S/C28H41N3O4Si/c1-27(2,3)34-26(33)31(20-24(32)21-11-10-15-29-19-21)18-17-30-16-14-22-23(30)12-9-13-25(22)35-36(7,8)28(4,5)6/h9-16,19,24,32H,17-18,20H2,1-8H3/t24-/m0/s1
InChIKeyIAQLLSCIEWUSNB-DEOSSOPVSA-N
MW511.74 g/mol
LogP6.39
Rot. Bonds8

About tert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate

tert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate (PubChem CID 86604036) has the molecular formula C28H41N3O4Si and a molecular weight of 511.74 g/mol. Its IUPAC name is tert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate
PubChem CID86604036
Molecular FormulaC28H41N3O4Si
Molecular Weight511.74 g/mol
Exact Mass511.29
IUPAC Nametert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCn1ccc2c(O[Si](C)(C)C(C)(C)C)cccc21)C[C@H](O)c1cccnc1
InChIInChI=1S/C28H41N3O4Si/c1-27(2,3)34-26(33)31(20-24(32)21-11-10-15-29-19-21)18-17-30-16-14-22-23(30)12-9-13-25(22)35-36(7,8)28(4,5)6/h9-16,19,24,32H,17-18,20H2,1-8H3/t24-/m0/s1
InChIKeyIAQLLSCIEWUSNB-DEOSSOPVSA-N
XLogP6.39
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.74
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate (CID 86604036) is tert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate is CC(C)(C)OC(=O)N(CCn1ccc2c(O[Si](C)(C)C(C)(C)C)cccc21)C[C@H](O)c1cccnc1.
What is the InChIKey of tert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate?
The InChIKey is IAQLLSCIEWUSNB-DEOSSOPVSA-N. The full InChI is InChI=1S/C28H41N3O4Si/c1-27(2,3)34-26(33)31(20-24(32)21-11-10-15-29-19-21)18-17-30-16-14-22-23(30)12-9-13-25(22)35-36(7,8)28(4,5)6/h9-16,19,24,32H,17-18,20H2,1-8H3/t24-/m0/s1.
What are the key properties of tert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate?
tert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate has a molecular weight of 511.74 g/mol, XLogP of 6.39, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-[tert-butyl(dimethyl)silyl]oxyindol-1-yl]ethyl]-N-[(2R)-2-hydroxy-2-pyridin-3-ylethyl]carbamate is sourced from PubChem (CID 86604036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).