benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate

C32H50N2O5Si — CID 154638930

About benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate

benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate (PubChem CID 154638930) has the molecular formula C32H50N2O5Si and a molecular weight of 570.85 g/mol. Its IUPAC name is benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate
• PubChem CID: 154638930
• Molecular Formula: C32H50N2O5Si
• Molecular Weight: 570.85 g/mol
• Exact Mass: 570.35
• IUPAC Name: benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate
• SMILES: CC(C)(C)OC(=O)NCCCC(CCO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)C(=O)OCc1ccccc1
• InChI: InChI=1S/C32H50N2O5Si/c1-31(2,3)39-29(35)33-22-15-20-28(21-23-38-40(7,8)32(4,5)6)34(24-26-16-11-9-12-17-26)30(36)37-25-27-18-13-10-14-19-27/h9-14,16-19,28H,15,20-25H2,1-8H3,(H,33,35)
• InChIKey: ZXEBQFWLNNAPBK-UHFFFAOYSA-N
• XLogP: 7.91
• TPSA: 77.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 13
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.85
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

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 benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate?

The IUPAC name of benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate (CID 154638930) is benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate.

What is the SMILES notation for benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate?

The canonical SMILES for benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate is CC(C)(C)OC(=O)NCCCC(CCO[Si](C)(C)C(C)(C)C)N(Cc1ccccc1)C(=O)OCc1ccccc1.

What is the InChIKey of benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate?

The InChIKey is ZXEBQFWLNNAPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50N2O5Si/c1-31(2,3)39-29(35)33-22-15-20-28(21-23-38-40(7,8)32(4,5)6)34(24-26-16-11-9-12-17-26)30(36)37-25-27-18-13-10-14-19-27/h9-14,16-19,28H,15,20-25H2,1-8H3,(H,33,35).

What are the key properties of benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate?

benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate has a molecular weight of 570.85 g/mol, XLogP of 7.91, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate is sourced from PubChem (CID 154638930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).