N-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide

C25H33ClN2O3Si — CID 68771299

IUPACN-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide
SMILESCC(CN1C(=O)c2c(ccc(O)c2[Si](C)(C)C)C1C(=O)NC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C25H33ClN2O3Si/c1-15(16-8-10-17(26)11-9-16)14-28-21(23(30)27-25(2,3)4)18-12-13-19(29)22(32(5,6)7)20(18)24(28)31/h8-13,15,21,29H,14H2,1-7H3,(H,27,30)
InChIKeyNLJXIQWGURROOT-UHFFFAOYSA-N
MW473.09 g/mol
LogP4.81
Rot. Bonds5

About N-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide

N-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide (PubChem CID 68771299) has the molecular formula C25H33ClN2O3Si and a molecular weight of 473.09 g/mol. Its IUPAC name is N-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide
PubChem CID68771299
Molecular FormulaC25H33ClN2O3Si
Molecular Weight473.09 g/mol
Exact Mass472.19
IUPAC NameN-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide
SMILESCC(CN1C(=O)c2c(ccc(O)c2[Si](C)(C)C)C1C(=O)NC(C)(C)C)c1ccc(Cl)cc1
InChIInChI=1S/C25H33ClN2O3Si/c1-15(16-8-10-17(26)11-9-16)14-28-21(23(30)27-25(2,3)4)18-12-13-19(29)22(32(5,6)7)20(18)24(28)31/h8-13,15,21,29H,14H2,1-7H3,(H,27,30)
InChIKeyNLJXIQWGURROOT-UHFFFAOYSA-N
XLogP4.81
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.09
LogP ≤ 54.81
H-Bond Donors ≤ 52
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 N-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide?
The IUPAC name of N-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide (CID 68771299) is N-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide.
What is the SMILES notation for N-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide?
The canonical SMILES for N-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide is CC(CN1C(=O)c2c(ccc(O)c2[Si](C)(C)C)C1C(=O)NC(C)(C)C)c1ccc(Cl)cc1.
What is the InChIKey of N-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide?
The InChIKey is NLJXIQWGURROOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN2O3Si/c1-15(16-8-10-17(26)11-9-16)14-28-21(23(30)27-25(2,3)4)18-12-13-19(29)22(32(5,6)7)20(18)24(28)31/h8-13,15,21,29H,14H2,1-7H3,(H,27,30).
What are the key properties of N-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide?
N-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide has a molecular weight of 473.09 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[2-(4-chlorophenyl)propyl]-5-hydroxy-3-oxo-4-trimethylsilyl-1H-isoindole-1-carboxamide is sourced from PubChem (CID 68771299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).