N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide

C42H50N4O5Si — CID 23874019

About N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide

N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide (PubChem CID 23874019) has the molecular formula C42H50N4O5Si and a molecular weight of 718.97 g/mol. Its IUPAC name is N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-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-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide
• PubChem CID: 23874019
• Molecular Formula: C42H50N4O5Si
• Molecular Weight: 718.97 g/mol
• Exact Mass: 718.36
• IUPAC Name: N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide
• SMILES: COc1ccc(C(=O)Nc2ccc(CC[C@H]3O[C@@H](CCn4cc(C(CO)c5ccccc5)nn4)[C@H]([Si](C)(C)c4ccc(OC)cc4)[C@H]3C)cc2)cc1
• InChI: InChI=1S/C42H50N4O5Si/c1-29-39(24-13-30-11-16-33(17-12-30)43-42(48)32-14-18-34(49-2)19-15-32)51-40(41(29)52(4,5)36-22-20-35(50-3)21-23-36)25-26-46-27-38(44-45-46)37(28-47)31-9-7-6-8-10-31/h6-12,14-23,27,29,37,39-41,47H,13,24-26,28H2,1-5H3,(H,43,48)/t29-,37?,39+,40-,41+/m0/s1
• InChIKey: KWGMJXJUFLROAR-UIGPNYKHSA-N
• XLogP: 7.08
• TPSA: 107.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.97
LogP ≤ 5	7.08
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

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-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-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-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide (CID 23874019) is N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-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-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-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-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2ccc(CC[C@H]3O[C@@H](CCn4cc(C(CO)c5ccccc5)nn4)[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-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide?

The InChIKey is KWGMJXJUFLROAR-UIGPNYKHSA-N. The full InChI is InChI=1S/C42H50N4O5Si/c1-29-39(24-13-30-11-16-33(17-12-30)43-42(48)32-14-18-34(49-2)19-15-32)51-40(41(29)52(4,5)36-22-20-35(50-3)21-23-36)25-26-46-27-38(44-45-46)37(28-47)31-9-7-6-8-10-31/h6-12,14-23,27,29,37,39-41,47H,13,24-26,28H2,1-5H3,(H,43,48)/t29-,37?,39+,40-,41+/m0/s1.

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

N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide has a molecular weight of 718.97 g/mol, XLogP of 7.08, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[(2R,3S,4R,5S)-5-[2-[4-(2-hydroxy-1-phenylethyl)triazol-1-yl]ethyl]-4-[(4-methoxyphenyl)-dimethylsilyl]-3-methyloxolan-2-yl]ethyl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 23874019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).