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

C40H42ClN3O5Si — CID 23985057

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

N-[3-[[(3S,3'S,4'R,5'S)-5-chloro-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide (PubChem CID 23985057) has the molecular formula C40H42ClN3O5Si and a molecular weight of 708.33 g/mol. Its IUPAC name is N-[3-[[(3S,3'S,4'R,5'S)-5-chloro-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

• Compound Name: N-[3-[[(3S,3'S,4'R,5'S)-5-chloro-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide
• PubChem CID: 23985057
• Molecular Formula: C40H42ClN3O5Si
• Molecular Weight: 708.33 g/mol
• Exact Mass: 707.26
• IUPAC Name: N-[3-[[(3S,3'S,4'R,5'S)-5-chloro-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide
• SMILES: COc1ccc([Si](C)(C)[C@H]2[C@H](CCO)O[C@@]3(C(=O)N(Cc4cccc(NC(=O)Cc5c[nH]c6ccccc56)c4)c4ccc(Cl)cc43)[C@@H]2C)cc1
• InChI: InChI=1S/C40H42ClN3O5Si/c1-25-38(50(3,4)31-15-13-30(48-2)14-16-31)36(18-19-45)49-40(25)33-22-28(41)12-17-35(33)44(39(40)47)24-26-8-7-9-29(20-26)43-37(46)21-27-23-42-34-11-6-5-10-32(27)34/h5-17,20,22-23,25,36,38,42,45H,18-19,21,24H2,1-4H3,(H,43,46)/t25-,36+,38-,40+/m1/s1
• InChIKey: ZPITVANDFLLALM-HPHUJLJBSA-N
• XLogP: 7.16
• TPSA: 103.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	708.33
LogP ≤ 5	7.16
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-[3-[[(3S,3'S,4'R,5'S)-5-chloro-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide?

The IUPAC name of N-[3-[[(3S,3'S,4'R,5'S)-5-chloro-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide (CID 23985057) is N-[3-[[(3S,3'S,4'R,5'S)-5-chloro-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide.

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

The canonical SMILES for N-[3-[[(3S,3'S,4'R,5'S)-5-chloro-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide is COc1ccc([Si](C)(C)[C@H]2[C@H](CCO)O[C@@]3(C(=O)N(Cc4cccc(NC(=O)Cc5c[nH]c6ccccc56)c4)c4ccc(Cl)cc43)[C@@H]2C)cc1.

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

The InChIKey is ZPITVANDFLLALM-HPHUJLJBSA-N. The full InChI is InChI=1S/C40H42ClN3O5Si/c1-25-38(50(3,4)31-15-13-30(48-2)14-16-31)36(18-19-45)49-40(25)33-22-28(41)12-17-35(33)44(39(40)47)24-26-8-7-9-29(20-26)43-37(46)21-27-23-42-34-11-6-5-10-32(27)34/h5-17,20,22-23,25,36,38,42,45H,18-19,21,24H2,1-4H3,(H,43,46)/t25-,36+,38-,40+/m1/s1.

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

N-[3-[[(3S,3'S,4'R,5'S)-5-chloro-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide has a molecular weight of 708.33 g/mol, XLogP of 7.16, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[(3S,3'S,4'R,5'S)-5-chloro-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 23985057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).