N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide

C49H51ClN4O6Si — CID 23901293

About N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide

N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 23901293) has the molecular formula C49H51ClN4O6Si and a molecular weight of 855.51 g/mol. Its IUPAC name is N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
• PubChem CID: 23901293
• Molecular Formula: C49H51ClN4O6Si
• Molecular Weight: 855.51 g/mol
• Exact Mass: 854.33
• IUPAC Name: N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
• SMILES: COc1ccc([Si](C)(C)[C@@H]2[C@@H](CC(=O)N(CCO)Cc3ccccc3)O[C@]3(C(=O)N(Cc4cccc(NC(=O)Cc5c[nH]c6ccccc56)c4)c4ccc(Cl)cc43)[C@H]2C)cc1
• InChI: InChI=1S/C49H51ClN4O6Si/c1-32-47(61(3,4)39-20-18-38(59-2)19-21-39)44(28-46(57)53(23-24-55)30-33-11-6-5-7-12-33)60-49(32)41-27-36(50)17-22-43(41)54(48(49)58)31-34-13-10-14-37(25-34)52-45(56)26-35-29-51-42-16-9-8-15-40(35)42/h5-22,25,27,29,32,44,47,51,55H,23-24,26,28,30-31H2,1-4H3,(H,52,56)/t32-,44+,47-,49+/m0/s1
• InChIKey: WTNFZQYZILLTOM-WEPUPCBXSA-N
• XLogP: 8.19
• TPSA: 124.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	855.51
LogP ≤ 5	8.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

The IUPAC name of N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (CID 23901293) is N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide.

What is the SMILES notation for N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

The canonical SMILES for N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is COc1ccc([Si](C)(C)[C@@H]2[C@@H](CC(=O)N(CCO)Cc3ccccc3)O[C@]3(C(=O)N(Cc4cccc(NC(=O)Cc5c[nH]c6ccccc56)c4)c4ccc(Cl)cc43)[C@H]2C)cc1.

What is the InChIKey of N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

The InChIKey is WTNFZQYZILLTOM-WEPUPCBXSA-N. The full InChI is InChI=1S/C49H51ClN4O6Si/c1-32-47(61(3,4)39-20-18-38(59-2)19-21-39)44(28-46(57)53(23-24-55)30-33-11-6-5-7-12-33)60-49(32)41-27-36(50)17-22-43(41)54(48(49)58)31-34-13-10-14-37(25-34)52-45(56)26-35-29-51-42-16-9-8-15-40(35)42/h5-22,25,27,29,32,44,47,51,55H,23-24,26,28,30-31H2,1-4H3,(H,52,56)/t32-,44+,47-,49+/m0/s1.

What are the key properties of N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 855.51 g/mol, XLogP of 8.19, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(2'R,3R,3'S,4'R)-5-chloro-1-[[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]methyl]-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxospiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 23901293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).