N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide

C36H43N3O7Si — CID 23844442

About N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide

N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide (PubChem CID 23844442) has the molecular formula C36H43N3O7Si and a molecular weight of 657.84 g/mol. Its IUPAC name is N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide
• PubChem CID: 23844442
• Molecular Formula: C36H43N3O7Si
• Molecular Weight: 657.84 g/mol
• Exact Mass: 657.29
• IUPAC Name: N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2ccc3c(c2)[C@@]2(O[C@H](CC(=O)N4CCC[C@H]4CO)[C@@H]([Si](C)(C)c4ccc(OC)cc4)[C@@H]2C)C(=O)N3)cc1
• InChI: InChI=1S/C36H43N3O7Si/c1-22-33(47(4,5)28-15-13-27(45-3)14-16-28)31(20-32(41)39-18-6-7-25(39)21-40)46-36(22)29-19-24(10-17-30(29)38-35(36)43)37-34(42)23-8-11-26(44-2)12-9-23/h8-17,19,22,25,31,33,40H,6-7,18,20-21H2,1-5H3,(H,37,42)(H,38,43)/t22-,25-,31+,33-,36+/m0/s1
• InChIKey: NPSBEEDFHJBNNC-TWPJXXNPSA-N
• XLogP: 4.50
• TPSA: 126.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	657.84
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide?

The IUPAC name of N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide (CID 23844442) is N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide.

What is the SMILES notation for N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide?

The canonical SMILES for N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc3c(c2)[C@@]2(O[C@H](CC(=O)N4CCC[C@H]4CO)[C@@H]([Si](C)(C)c4ccc(OC)cc4)[C@@H]2C)C(=O)N3)cc1.

What is the InChIKey of N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide?

The InChIKey is NPSBEEDFHJBNNC-TWPJXXNPSA-N. The full InChI is InChI=1S/C36H43N3O7Si/c1-22-33(47(4,5)28-15-13-27(45-3)14-16-28)31(20-32(41)39-18-6-7-25(39)21-40)46-36(22)29-19-24(10-17-30(29)38-35(36)43)37-34(42)23-8-11-26(44-2)12-9-23/h8-17,19,22,25,31,33,40H,6-7,18,20-21H2,1-5H3,(H,37,42)(H,38,43)/t22-,25-,31+,33-,36+/m0/s1.

What are the key properties of N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide?

N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide has a molecular weight of 657.84 g/mol, XLogP of 4.50, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,3'R,4'S,5'R)-5'-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[1H-indole-3,2'-oxolane]-5-yl]-4-methoxybenzamide is sourced from PubChem (CID 23844442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).