N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide

C43H51N3O5Si — CID 23929909

About N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide

N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide (PubChem CID 23929909) has the molecular formula C43H51N3O5Si and a molecular weight of 717.98 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide
• PubChem CID: 23929909
• Molecular Formula: C43H51N3O5Si
• Molecular Weight: 717.98 g/mol
• Exact Mass: 717.36
• IUPAC Name: N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide
• SMILES: COc1ccc([Si](C)(C)[C@@H]2[C@@H](C)[C@@H](CCc3cccc(NC(=O)Cc4c[nH]c5ccccc45)c3)O[C@H]2CC(=O)N(CCO)Cc2ccccc2)cc1
• InChI: InChI=1S/C43H51N3O5Si/c1-30-39(22-17-31-13-10-14-34(25-31)45-41(48)26-33-28-44-38-16-9-8-15-37(33)38)51-40(43(30)52(3,4)36-20-18-35(50-2)19-21-36)27-42(49)46(23-24-47)29-32-11-6-5-7-12-32/h5-16,18-21,25,28,30,39-40,43-44,47H,17,22-24,26-27,29H2,1-4H3,(H,45,48)/t30-,39+,40-,43+/m0/s1
• InChIKey: CXPZYZCVTQKAHK-DYCTUDSKSA-N
• XLogP: 7.09
• TPSA: 103.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	717.98
LogP ≤ 5	7.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide (CID 23929909) is N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide.

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

The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide is COc1ccc([Si](C)(C)[C@@H]2[C@@H](C)[C@@H](CCc3cccc(NC(=O)Cc4c[nH]c5ccccc45)c3)O[C@H]2CC(=O)N(CCO)Cc2ccccc2)cc1.

What is the InChIKey of N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide?

The InChIKey is CXPZYZCVTQKAHK-DYCTUDSKSA-N. The full InChI is InChI=1S/C43H51N3O5Si/c1-30-39(22-17-31-13-10-14-34(25-31)45-41(48)26-33-28-44-38-16-9-8-15-37(33)38)51-40(43(30)52(3,4)36-20-18-35(50-2)19-21-36)27-42(49)46(23-24-47)29-32-11-6-5-7-12-32/h5-16,18-21,25,28,30,39-40,43-44,47H,17,22-24,26-27,29H2,1-4H3,(H,45,48)/t30-,39+,40-,43+/m0/s1.

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

N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide has a molecular weight of 717.98 g/mol, XLogP of 7.09, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(2-hydroxyethyl)-2-[(2S,3R,4S,5R)-5-[2-[3-[[2-(1H-indol-3-yl)acetyl]amino]phenyl]ethyl]-3-[(4-methoxyphenyl)-dimethylsilyl]-4-methyloxolan-2-yl]acetamide is sourced from PubChem (CID 23929909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).