N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide

C68H83FN2O8Si — CID 71514842

About N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide

N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide (PubChem CID 71514842) has the molecular formula C68H83FN2O8Si and a molecular weight of 1103.50 g/mol. Its IUPAC name is N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
• PubChem CID: 71514842
• Molecular Formula: C68H83FN2O8Si
• Molecular Weight: 1103.50 g/mol
• Exact Mass: 1102.59
• IUPAC Name: N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide
• SMILES: CC(C)c1c(C(=O)Nc2ccc(CCCOCCOCCOCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](CCOCc2ccccc2)OC(C)(C)O1
• InChI: InChI=1S/C68H83FN2O8Si/c1-51(2)64-63(62(54-24-14-9-15-25-54)65(55-32-34-56(69)35-33-55)71(64)40-38-58-49-59(79-68(6,7)78-58)39-42-76-50-53-21-12-8-13-22-53)66(72)70-57-36-30-52(31-37-57)23-20-41-73-43-44-74-45-46-75-47-48-77-80(67(3,4)5,60-26-16-10-17-27-60)61-28-18-11-19-29-61/h8-19,21-22,24-37,51,58-59H,20,23,38-50H2,1-7H3,(H,70,72)/t58-,59+/m1/s1
• InChIKey: WNCRMNLBMIGMMU-KKBYLBNBSA-N
• XLogP: 13.80
• TPSA: 98.64 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 29
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1103.50
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

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 N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide?

The IUPAC name of N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide (CID 71514842) is N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide.

What is the SMILES notation for N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide?

The canonical SMILES for N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide is CC(C)c1c(C(=O)Nc2ccc(CCCOCCOCCOCCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)cc2)c(-c2ccccc2)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@H](CCOCc2ccccc2)OC(C)(C)O1.

What is the InChIKey of N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide?

The InChIKey is WNCRMNLBMIGMMU-KKBYLBNBSA-N. The full InChI is InChI=1S/C68H83FN2O8Si/c1-51(2)64-63(62(54-24-14-9-15-25-54)65(55-32-34-56(69)35-33-55)71(64)40-38-58-49-59(79-68(6,7)78-58)39-42-76-50-53-21-12-8-13-22-53)66(72)70-57-36-30-52(31-37-57)23-20-41-73-43-44-74-45-46-75-47-48-77-80(67(3,4)5,60-26-16-10-17-27-60)61-28-18-11-19-29-61/h8-19,21-22,24-37,51,58-59H,20,23,38-50H2,1-7H3,(H,70,72)/t58-,59+/m1/s1.

What are the key properties of N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide?

N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 1103.50 g/mol, XLogP of 13.80, 29 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[3-[2-[2-[2-[tert-butyl(diphenyl)silyl]oxyethoxy]ethoxy]ethoxy]propyl]phenyl]-1-[2-[(4R,6S)-2,2-dimethyl-6-(2-phenylmethoxyethyl)-1,3-dioxan-4-yl]ethyl]-5-(4-fluorophenyl)-4-phenyl-2-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 71514842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).