tert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate

C23H33NO2Si — CID 134960634

IUPACtert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](CCc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H33NO2Si/c1-23(2,3)26-22(25)24-18-21(17-16-19-12-8-6-9-13-19)27(4,5)20-14-10-7-11-15-20/h6-15,21H,16-18H2,1-5H3,(H,24,25)/t21-/m0/s1
InChIKeyLCLGEDPRPOENLU-NRFANRHFSA-N
MW383.61 g/mol
LogP5.13
Rot. Bonds7

About tert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate

tert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate (PubChem CID 134960634) has the molecular formula C23H33NO2Si and a molecular weight of 383.61 g/mol. Its IUPAC name is tert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate
PubChem CID134960634
Molecular FormulaC23H33NO2Si
Molecular Weight383.61 g/mol
Exact Mass383.23
IUPAC Nametert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](CCc1ccccc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C23H33NO2Si/c1-23(2,3)26-22(25)24-18-21(17-16-19-12-8-6-9-13-19)27(4,5)20-14-10-7-11-15-20/h6-15,21H,16-18H2,1-5H3,(H,24,25)/t21-/m0/s1
InChIKeyLCLGEDPRPOENLU-NRFANRHFSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.61
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate (CID 134960634) is tert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate is CC(C)(C)OC(=O)NC[C@H](CCc1ccccc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of tert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate?
The InChIKey is LCLGEDPRPOENLU-NRFANRHFSA-N. The full InChI is InChI=1S/C23H33NO2Si/c1-23(2,3)26-22(25)24-18-21(17-16-19-12-8-6-9-13-19)27(4,5)20-14-10-7-11-15-20/h6-15,21H,16-18H2,1-5H3,(H,24,25)/t21-/m0/s1.
What are the key properties of tert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate?
tert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate has a molecular weight of 383.61 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-2-[dimethyl(phenyl)silyl]-4-phenylbutyl]carbamate is sourced from PubChem (CID 134960634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).