tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate

C32H44N2O3Si — CID 131733853

About tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate

tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate (PubChem CID 131733853) has the molecular formula C32H44N2O3Si and a molecular weight of 532.80 g/mol. Its IUPAC name is tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate
• PubChem CID: 131733853
• Molecular Formula: C32H44N2O3Si
• Molecular Weight: 532.80 g/mol
• Exact Mass: 532.31
• IUPAC Name: tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate
• SMILES: CC(C)(C)OC(=O)N[C@@H](CCNCc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C32H44N2O3Si/c1-31(2,3)37-30(35)34-27(22-23-33-24-26-16-10-7-11-17-26)25-36-38(32(4,5)6,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-21,27,33H,22-25H2,1-6H3,(H,34,35)/t27-/m0/s1
• InChIKey: FGNTVWYYQSGFEL-MHZLTWQESA-N
• XLogP: 5.64
• TPSA: 59.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.80
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate?

The IUPAC name of tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate (CID 131733853) is tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate.

What is the SMILES notation for tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate?

The canonical SMILES for tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CCNCc1ccccc1)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate?

The InChIKey is FGNTVWYYQSGFEL-MHZLTWQESA-N. The full InChI is InChI=1S/C32H44N2O3Si/c1-31(2,3)37-30(35)34-27(22-23-33-24-26-16-10-7-11-17-26)25-36-38(32(4,5)6,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-21,27,33H,22-25H2,1-6H3,(H,34,35)/t27-/m0/s1.

What are the key properties of tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate?

tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate has a molecular weight of 532.80 g/mol, XLogP of 5.64, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[(2S)-4-(benzylamino)-1-[tert-butyl(diphenyl)silyl]oxybutan-2-yl]carbamate is sourced from PubChem (CID 131733853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).