N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide

C43H42ClN3O6Si — CID 23845741

About N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide

N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 23845741) has the molecular formula C43H42ClN3O6Si and a molecular weight of 760.36 g/mol. Its IUPAC name is N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
• PubChem CID: 23845741
• Molecular Formula: C43H42ClN3O6Si
• Molecular Weight: 760.36 g/mol
• Exact Mass: 759.25
• IUPAC Name: N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
• SMILES: C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@]12C(=O)N(Cc1ccc(N3C(=O)c4cccc5cccc3c45)cc1)c1ccc(Cl)cc12
• InChI: InChI=1S/C43H42ClN3O6Si/c1-27-40(54(2,3)52)37(24-38(49)45(21-22-48)25-28-9-5-4-6-10-28)53-43(27)34-23-31(44)17-20-35(34)46(42(43)51)26-29-15-18-32(19-16-29)47-36-14-8-12-30-11-7-13-33(39(30)36)41(47)50/h4-20,23,27,37,40,48,52H,21-22,24-26H2,1-3H3/t27-,37+,40-,43+/m1/s1
• InChIKey: KGYXAESCQSBHGP-IHUAKDQNSA-N
• XLogP: 7.54
• TPSA: 110.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	760.36
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	2
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'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

The IUPAC name of N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (CID 23845741) is N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide.

What is the SMILES notation for N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

The canonical SMILES for N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CC(=O)N(CCO)Cc2ccccc2)O[C@@]12C(=O)N(Cc1ccc(N3C(=O)c4cccc5cccc3c45)cc1)c1ccc(Cl)cc12.

What is the InChIKey of N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

The InChIKey is KGYXAESCQSBHGP-IHUAKDQNSA-N. The full InChI is InChI=1S/C43H42ClN3O6Si/c1-27-40(54(2,3)52)37(24-38(49)45(21-22-48)25-28-9-5-4-6-10-28)53-43(27)34-23-31(44)17-20-35(34)46(42(43)51)26-29-15-18-32(19-16-29)47-36-14-8-12-30-11-7-13-33(39(30)36)41(47)50/h4-20,23,27,37,40,48,52H,21-22,24-26H2,1-3H3/t27-,37+,40-,43+/m1/s1.

What are the key properties of N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 760.36 g/mol, XLogP of 7.54, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(2'S,3S,3'R,4'S)-5-chloro-3'-[hydroxy(dimethyl)silyl]-4'-methyl-2-oxo-1-[[4-(2-oxobenzo[cd]indol-1-yl)phenyl]methyl]spiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 23845741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).