tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate

C27H40N2O5Si — CID 89296267

About tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate

tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate (PubChem CID 89296267) has the molecular formula C27H40N2O5Si and a molecular weight of 500.71 g/mol. Its IUPAC name is tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
• PubChem CID: 89296267
• Molecular Formula: C27H40N2O5Si
• Molecular Weight: 500.71 g/mol
• Exact Mass: 500.27
• IUPAC Name: tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate
• SMILES: CON(C)C(=O)C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C27H40N2O5Si/c1-26(2,3)34-25(31)28-23(24(30)29(7)32-8)19-20-33-35(27(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23H,19-20H2,1-8H3,(H,28,31)
• InChIKey: AEFRDCHBNFSJDP-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.71
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate (CID 89296267) is tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate is CON(C)C(=O)C(CCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)NC(=O)OC(C)(C)C.

What is the InChIKey of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate?

The InChIKey is AEFRDCHBNFSJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H40N2O5Si/c1-26(2,3)34-25(31)28-23(24(30)29(7)32-8)19-20-33-35(27(4,5)6,21-15-11-9-12-16-21)22-17-13-10-14-18-22/h9-18,23H,19-20H2,1-8H3,(H,28,31).

What are the key properties of tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate?

tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate has a molecular weight of 500.71 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[4-[tert-butyl(diphenyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxobutan-2-yl]carbamate is sourced from PubChem (CID 89296267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).