N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide

C37H48N2O6Si — CID 23985543

About N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide

N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide (PubChem CID 23985543) has the molecular formula C37H48N2O6Si and a molecular weight of 644.89 g/mol. Its IUPAC name is N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide.

Molecular Properties

• Compound Name: N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide
• PubChem CID: 23985543
• Molecular Formula: C37H48N2O6Si
• Molecular Weight: 644.89 g/mol
• Exact Mass: 644.33
• IUPAC Name: N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2ccc(CC[C@H]3O[C@@H](CC(=O)N4CCC[C@H]4CO)[C@H]([Si](C)(C)c4ccc(OC)cc4)[C@H]3C)cc2)cc1
• InChI: InChI=1S/C37H48N2O6Si/c1-25-33(21-10-26-8-13-28(14-9-26)38-37(42)27-11-15-30(43-2)16-12-27)45-34(23-35(41)39-22-6-7-29(39)24-40)36(25)46(4,5)32-19-17-31(44-3)18-20-32/h8-9,11-20,25,29,33-34,36,40H,6-7,10,21-24H2,1-5H3,(H,38,42)/t25-,29-,33+,34-,36+/m0/s1
• InChIKey: MFIIEOVGVXKDAX-HZOFEURQSA-N
• XLogP: 5.65
• TPSA: 97.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.89
LogP ≤ 5	5.65
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-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide?

The IUPAC name of N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide (CID 23985543) is N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide.

What is the SMILES notation for N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide?

The canonical SMILES for N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(CC[C@H]3O[C@@H](CC(=O)N4CCC[C@H]4CO)[C@H]([Si](C)(C)c4ccc(OC)cc4)[C@H]3C)cc2)cc1.

What is the InChIKey of N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide?

The InChIKey is MFIIEOVGVXKDAX-HZOFEURQSA-N. The full InChI is InChI=1S/C37H48N2O6Si/c1-25-33(21-10-26-8-13-28(14-9-26)38-37(42)27-11-15-30(43-2)16-12-27)45-34(23-35(41)39-22-6-7-29(39)24-40)36(25)46(4,5)32-19-17-31(44-3)18-20-32/h8-9,11-20,25,29,33-34,36,40H,6-7,10,21-24H2,1-5H3,(H,38,42)/t25-,29-,33+,34-,36+/m0/s1.

What are the key properties of N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide?

N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide has a molecular weight of 644.89 g/mol, XLogP of 5.65, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(2R,3S,4R,5S)-5-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 23985543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).