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

C39H44N2O7Si — CID 23816954

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

N-[4-[[(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide (PubChem CID 23816954) has the molecular formula C39H44N2O7Si and a molecular weight of 680.87 g/mol. Its IUPAC name is N-[4-[[(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[4-[[(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide
• PubChem CID: 23816954
• Molecular Formula: C39H44N2O7Si
• Molecular Weight: 680.87 g/mol
• Exact Mass: 680.29
• IUPAC Name: N-[4-[[(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCO)[C@H]([Si](C)(C)c5ccc(OC)cc5)[C@H]4C)c4cc(OC)ccc43)cc2)cc1
• InChI: InChI=1S/C39H44N2O7Si/c1-25-36(49(5,6)32-18-15-30(46-3)16-19-32)35(21-22-42)48-39(25)33-23-31(47-4)17-20-34(33)41(38(39)44)24-26-7-11-28(12-8-26)40-37(43)27-9-13-29(45-2)14-10-27/h7-20,23,25,35-36,42H,21-22,24H2,1-6H3,(H,40,43)/t25-,35+,36-,39+/m1/s1
• InChIKey: VTOKOIYHPQRQBV-ZTTVOOIJSA-N
• XLogP: 6.11
• TPSA: 106.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	680.87
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	2
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-[4-[[(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide?

The IUPAC name of N-[4-[[(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide (CID 23816954) is N-[4-[[(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide.

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

The canonical SMILES for N-[4-[[(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(CN3C(=O)[C@@]4(O[C@@H](CCO)[C@H]([Si](C)(C)c5ccc(OC)cc5)[C@H]4C)c4cc(OC)ccc43)cc2)cc1.

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

The InChIKey is VTOKOIYHPQRQBV-ZTTVOOIJSA-N. The full InChI is InChI=1S/C39H44N2O7Si/c1-25-36(49(5,6)32-18-15-30(46-3)16-19-32)35(21-22-42)48-39(25)33-23-31(47-4)17-20-34(33)41(38(39)44)24-26-7-11-28(12-8-26)40-37(43)27-9-13-29(45-2)14-10-27/h7-20,23,25,35-36,42H,21-22,24H2,1-6H3,(H,40,43)/t25-,35+,36-,39+/m1/s1.

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

N-[4-[[(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide has a molecular weight of 680.87 g/mol, XLogP of 6.11, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(3S,3'S,4'R,5'S)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 23816954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).