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

C37H40N2O5Si — CID 23901707

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

N-[(3S,3'S,4'R,5'S)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide (PubChem CID 23901707) has the molecular formula C37H40N2O5Si and a molecular weight of 620.82 g/mol. Its IUPAC name is N-[(3S,3'S,4'R,5'S)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide.

Molecular Properties

• Compound Name: N-[(3S,3'S,4'R,5'S)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide
• PubChem CID: 23901707
• Molecular Formula: C37H40N2O5Si
• Molecular Weight: 620.82 g/mol
• Exact Mass: 620.27
• IUPAC Name: N-[(3S,3'S,4'R,5'S)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide
• SMILES: COc1ccc([Si](C)(C)[C@H]2[C@H](CCO)O[C@@]3(C(=O)N(Cc4ccccc4)c4ccc(NC(=O)c5ccccc5)cc43)[C@@H]2C)cc1
• InChI: InChI=1S/C37H40N2O5Si/c1-25-34(45(3,4)30-18-16-29(43-2)17-19-30)33(21-22-40)44-37(25)31-23-28(38-35(41)27-13-9-6-10-14-27)15-20-32(31)39(36(37)42)24-26-11-7-5-8-12-26/h5-20,23,25,33-34,40H,21-22,24H2,1-4H3,(H,38,41)/t25-,33+,34-,37+/m1/s1
• InChIKey: LBFRVSDSPXVUGE-LOWDZQGASA-N
• XLogP: 6.09
• TPSA: 88.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.82
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
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-[(3S,3'S,4'R,5'S)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide?

The IUPAC name of N-[(3S,3'S,4'R,5'S)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide (CID 23901707) is N-[(3S,3'S,4'R,5'S)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide.

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

The canonical SMILES for N-[(3S,3'S,4'R,5'S)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide is COc1ccc([Si](C)(C)[C@H]2[C@H](CCO)O[C@@]3(C(=O)N(Cc4ccccc4)c4ccc(NC(=O)c5ccccc5)cc43)[C@@H]2C)cc1.

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

The InChIKey is LBFRVSDSPXVUGE-LOWDZQGASA-N. The full InChI is InChI=1S/C37H40N2O5Si/c1-25-34(45(3,4)30-18-16-29(43-2)17-19-30)33(21-22-40)44-37(25)31-23-28(38-35(41)27-13-9-6-10-14-27)15-20-32(31)39(36(37)42)24-26-11-7-5-8-12-26/h5-20,23,25,33-34,40H,21-22,24H2,1-4H3,(H,38,41)/t25-,33+,34-,37+/m1/s1.

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

N-[(3S,3'S,4'R,5'S)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide has a molecular weight of 620.82 g/mol, XLogP of 6.09, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S,3'S,4'R,5'S)-1-benzyl-5'-(2-hydroxyethyl)-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-5-yl]benzamide is sourced from PubChem (CID 23901707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).