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

C38H43N3O6Si — CID 23873170

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

4-amino-N-[3-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide (PubChem CID 23873170) has the molecular formula C38H43N3O6Si and a molecular weight of 665.86 g/mol. Its IUPAC name is 4-amino-N-[3-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-amino-N-[3-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide
• PubChem CID: 23873170
• Molecular Formula: C38H43N3O6Si
• Molecular Weight: 665.86 g/mol
• Exact Mass: 665.29
• IUPAC Name: 4-amino-N-[3-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide
• SMILES: COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCO)O[C@]3(C(=O)N(Cc4cccc(NC(=O)c5ccc(N)cc5)c4)c4ccc(OC)cc43)[C@H]2C)cc1
• InChI: InChI=1S/C38H43N3O6Si/c1-24-35(48(4,5)31-16-13-29(45-2)14-17-31)34(19-20-42)47-38(24)32-22-30(46-3)15-18-33(32)41(37(38)44)23-25-7-6-8-28(21-25)40-36(43)26-9-11-27(39)12-10-26/h6-18,21-22,24,34-35,42H,19-20,23,39H2,1-5H3,(H,40,43)/t24-,34+,35-,38+/m0/s1
• InChIKey: UUMAHQNEGIOQQA-SXSJRGLMSA-N
• XLogP: 5.68
• TPSA: 123.35 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	665.86
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-amino-N-[3-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide (CID 23873170) is 4-amino-N-[3-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide.

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

The canonical SMILES for 4-amino-N-[3-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide is COc1ccc([Si](C)(C)[C@@H]2[C@@H](CCO)O[C@]3(C(=O)N(Cc4cccc(NC(=O)c5ccc(N)cc5)c4)c4ccc(OC)cc43)[C@H]2C)cc1.

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

The InChIKey is UUMAHQNEGIOQQA-SXSJRGLMSA-N. The full InChI is InChI=1S/C38H43N3O6Si/c1-24-35(48(4,5)31-16-13-29(45-2)14-17-31)34(19-20-42)47-38(24)32-22-30(46-3)15-18-33(32)41(37(38)44)23-25-7-6-8-28(21-25)40-36(43)26-9-11-27(39)12-10-26/h6-18,21-22,24,34-35,42H,19-20,23,39H2,1-5H3,(H,40,43)/t24-,34+,35-,38+/m0/s1.

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

4-amino-N-[3-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide has a molecular weight of 665.86 g/mol, XLogP of 5.68, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[3-[[(3R,3'R,4'S,5'R)-5'-(2-hydroxyethyl)-5-methoxy-4'-[(4-methoxyphenyl)-dimethylsilyl]-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 23873170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).