tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate

C33H44N2O4Si — CID 11028129

About tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate

tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate (PubChem CID 11028129) has the molecular formula C33H44N2O4Si and a molecular weight of 560.81 g/mol. Its IUPAC name is tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate
• PubChem CID: 11028129
• Molecular Formula: C33H44N2O4Si
• Molecular Weight: 560.81 g/mol
• Exact Mass: 560.31
• IUPAC Name: tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate
• SMILES: CO[C@@H](/C=N/Cc1ccccc1)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C33H44N2O4Si/c1-32(2,3)39-31(36)35-29(30(37-7)24-34-23-26-17-11-8-12-18-26)25-38-40(33(4,5)6,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22,24,29-30H,23,25H2,1-7H3,(H,35,36)/b34-24+/t29-,30-/m0/s1
• InChIKey: SNUYEIAAZWRGRG-JSZLSQPFSA-N
• XLogP: 5.74
• TPSA: 69.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	560.81
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate (CID 11028129) is tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate is CO[C@@H](/C=N/Cc1ccccc1)[C@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate?

The InChIKey is SNUYEIAAZWRGRG-JSZLSQPFSA-N. The full InChI is InChI=1S/C33H44N2O4Si/c1-32(2,3)39-31(36)35-29(30(37-7)24-34-23-26-17-11-8-12-18-26)25-38-40(33(4,5)6,27-19-13-9-14-20-27)28-21-15-10-16-22-28/h8-22,24,29-30H,23,25H2,1-7H3,(H,35,36)/b34-24+/t29-,30-/m0/s1.

What are the key properties of tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate?

tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate has a molecular weight of 560.81 g/mol, XLogP of 5.74, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S,3R)-4-benzylimino-1-[tert-butyl(diphenyl)silyl]oxy-3-methoxybutan-2-yl]carbamate is sourced from PubChem (CID 11028129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).