benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate

C24H33NO4Si — CID 134877613

About benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate

benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate (PubChem CID 134877613) has the molecular formula C24H33NO4Si and a molecular weight of 427.62 g/mol. Its IUPAC name is benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate.

Molecular Properties

• Compound Name: benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate
• PubChem CID: 134877613
• Molecular Formula: C24H33NO4Si
• Molecular Weight: 427.62 g/mol
• Exact Mass: 427.22
• IUPAC Name: benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate
• SMILES: CN(C(=O)OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)c1ccccc1
• InChI: InChI=1S/C24H33NO4Si/c1-24(2,3)30(5,6)29-18-21(22(26)20-15-11-8-12-16-20)25(4)23(27)28-17-19-13-9-7-10-14-19/h7-16,21H,17-18H2,1-6H3/t21-/m0/s1
• InChIKey: RHLNSBFHIPEZSW-NRFANRHFSA-N
• XLogP: 5.53
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.62
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate?

The IUPAC name of benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate (CID 134877613) is benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate.

What is the SMILES notation for benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate?

The canonical SMILES for benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate is CN(C(=O)OCc1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)c1ccccc1.

What is the InChIKey of benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate?

The InChIKey is RHLNSBFHIPEZSW-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33NO4Si/c1-24(2,3)30(5,6)29-18-21(22(26)20-15-11-8-12-16-20)25(4)23(27)28-17-19-13-9-7-10-14-19/h7-16,21H,17-18H2,1-6H3/t21-/m0/s1.

What are the key properties of benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate?

benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate has a molecular weight of 427.62 g/mol, XLogP of 5.53, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2S)-3-[tert-butyl(dimethyl)silyl]oxy-1-oxo-1-phenylpropan-2-yl]-N-methylcarbamate is sourced from PubChem (CID 134877613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).