3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one

C48H55F2NO5Si — CID 69256107

About 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one

3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one (PubChem CID 69256107) has the molecular formula C48H55F2NO5Si and a molecular weight of 792.05 g/mol. Its IUPAC name is 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one.

Molecular Properties

• Compound Name: 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one
• PubChem CID: 69256107
• Molecular Formula: C48H55F2NO5Si
• Molecular Weight: 792.05 g/mol
• Exact Mass: 791.38
• IUPAC Name: 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one
• SMILES: CC(C)(C)[Si](C)(C)OC(CCC1C(=O)N(c2ccc(F)cc2)C1c1ccc(OCCCCOCc2ccccc2)cc1OCc1ccccc1)c1ccc(F)cc1
• InChI: InChI=1S/C48H55F2NO5Si/c1-48(2,3)57(4,5)56-44(37-18-20-38(49)21-19-37)29-28-43-46(51(47(43)52)40-24-22-39(50)23-25-40)42-27-26-41(32-45(42)55-34-36-16-10-7-11-17-36)54-31-13-12-30-53-33-35-14-8-6-9-15-35/h6-11,14-27,32,43-44,46H,12-13,28-31,33-34H2,1-5H3
• InChIKey: IQQPVEUWHMECTQ-UHFFFAOYSA-N
• XLogP: 12.17
• TPSA: 57.23 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 19
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.05
LogP ≤ 5	12.17
H-Bond Donors ≤ 5	0
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 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one?

The IUPAC name of 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one (CID 69256107) is 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one.

What is the SMILES notation for 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one?

The canonical SMILES for 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one is CC(C)(C)[Si](C)(C)OC(CCC1C(=O)N(c2ccc(F)cc2)C1c1ccc(OCCCCOCc2ccccc2)cc1OCc1ccccc1)c1ccc(F)cc1.

What is the InChIKey of 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one?

The InChIKey is IQQPVEUWHMECTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H55F2NO5Si/c1-48(2,3)57(4,5)56-44(37-18-20-38(49)21-19-37)29-28-43-46(51(47(43)52)40-24-22-39(50)23-25-40)42-27-26-41(32-45(42)55-34-36-16-10-7-11-17-36)54-31-13-12-30-53-33-35-14-8-6-9-15-35/h6-11,14-27,32,43-44,46H,12-13,28-31,33-34H2,1-5H3.

What are the key properties of 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one?

3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one has a molecular weight of 792.05 g/mol, XLogP of 12.17, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[tert-butyl(dimethyl)silyl]oxy-3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)-4-[2-phenylmethoxy-4-(4-phenylmethoxybutoxy)phenyl]azetidin-2-one is sourced from PubChem (CID 69256107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).