N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide

C48H50N6O6Si — CID 23900855

About N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide

N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide (PubChem CID 23900855) has the molecular formula C48H50N6O6Si and a molecular weight of 835.05 g/mol. Its IUPAC name is N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide.

Molecular Properties

• Compound Name: N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide
• PubChem CID: 23900855
• Molecular Formula: C48H50N6O6Si
• Molecular Weight: 835.05 g/mol
• Exact Mass: 834.36
• IUPAC Name: N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide
• SMILES: COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCn3cc(CCO)nn3)O[C@]3(C(=O)N(Cc4ccc(N(C=O)c5ccccc5)cc4)c4ccc(N(C=O)c5ccccc5)cc43)[C@H]2C)cc1
• InChI: InChI=1S/C48H50N6O6Si/c1-34-46(61(3,4)42-22-20-41(59-2)21-23-42)45(25-27-51-31-36(26-28-55)49-50-51)60-48(34)43-29-40(54(33-57)38-13-9-6-10-14-38)19-24-44(43)52(47(48)58)30-35-15-17-39(18-16-35)53(32-56)37-11-7-5-8-12-37/h5-24,29,31-34,45-46,55H,25-28,30H2,1-4H3/t34-,45+,46-,48+/m0/s1
• InChIKey: AOTGLSGBPCJDMM-WHOYPJDDSA-N
• XLogP: 7.26
• TPSA: 130.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 16
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	835.05
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide?

The IUPAC name of N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide (CID 23900855) is N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide.

What is the SMILES notation for N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide?

The canonical SMILES for N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide is COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCn3cc(CCO)nn3)O[C@]3(C(=O)N(Cc4ccc(N(C=O)c5ccccc5)cc4)c4ccc(N(C=O)c5ccccc5)cc43)[C@H]2C)cc1.

What is the InChIKey of N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide?

The InChIKey is AOTGLSGBPCJDMM-WHOYPJDDSA-N. The full InChI is InChI=1S/C48H50N6O6Si/c1-34-46(61(3,4)42-22-20-41(59-2)21-23-42)45(25-27-51-31-36(26-28-55)49-50-51)60-48(34)43-29-40(54(33-57)38-13-9-6-10-14-38)19-24-44(43)52(47(48)58)30-35-15-17-39(18-16-35)53(32-56)37-11-7-5-8-12-37/h5-24,29,31-34,45-46,55H,25-28,30H2,1-4H3/t34-,45+,46-,48+/m0/s1.

What are the key properties of N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide?

N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide has a molecular weight of 835.05 g/mol, XLogP of 7.26, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(3R,3'R,4'S,5'R)-5-(N-formylanilino)-5'-[2-[4-(2-hydroxyethyl)triazol-1-yl]ethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-N-phenylformamide is sourced from PubChem (CID 23900855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).