(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide

C43H58N2O4Si2 — CID 142492764

About (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide

(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide (PubChem CID 142492764) has the molecular formula C43H58N2O4Si2 and a molecular weight of 723.12 g/mol. Its IUPAC name is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide.

Molecular Properties

• Compound Name: (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide
• PubChem CID: 142492764
• Molecular Formula: C43H58N2O4Si2
• Molecular Weight: 723.12 g/mol
• Exact Mass: 722.39
• IUPAC Name: (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide
• SMILES: C[C@H](CC(=O)NCCCNC(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
• InChI: InChI=1S/C43H58N2O4Si2/c1-34(48-50(42(3,4)5,36-22-13-9-14-23-36)37-24-15-10-16-25-37)32-40(46)44-30-21-31-45-41(47)33-35(2)49-51(43(6,7)8,38-26-17-11-18-27-38)39-28-19-12-20-29-39/h9-20,22-29,34-35H,21,30-33H2,1-8H3,(H,44,46)(H,45,47)/t34-,35-/m1/s1
• InChIKey: ACYWKUWUDYSVAG-VSJLXWSYSA-N
• XLogP: 6.32
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 16
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	723.12
LogP ≤ 5	6.32
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 (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide?

The IUPAC name of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide (CID 142492764) is (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide.

What is the SMILES notation for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide?

The canonical SMILES for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide is C[C@H](CC(=O)NCCCNC(=O)C[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.

What is the InChIKey of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide?

The InChIKey is ACYWKUWUDYSVAG-VSJLXWSYSA-N. The full InChI is InChI=1S/C43H58N2O4Si2/c1-34(48-50(42(3,4)5,36-22-13-9-14-23-36)37-24-15-10-16-25-37)32-40(46)44-30-21-31-45-41(47)33-35(2)49-51(43(6,7)8,38-26-17-11-18-27-38)39-28-19-12-20-29-39/h9-20,22-29,34-35H,21,30-33H2,1-8H3,(H,44,46)(H,45,47)/t34-,35-/m1/s1.

What are the key properties of (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide?

(3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide has a molecular weight of 723.12 g/mol, XLogP of 6.32, 16 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-[3-[[(3R)-3-[tert-butyl(diphenyl)silyl]oxybutanoyl]amino]propyl]butanamide is sourced from PubChem (CID 142492764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).