4-amino-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

C37H41N3O5Si — CID 23985364

About 4-amino-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

4-amino-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 23985364) has the molecular formula C37H41N3O5Si and a molecular weight of 635.84 g/mol. Its IUPAC name is 4-amino-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: 4-amino-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: 23985364
• Molecular Formula: C37H41N3O5Si
• Molecular Weight: 635.84 g/mol
• Exact Mass: 635.28
• IUPAC Name: 4-amino-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)c5ccc(N)cc5)cc43)[C@@H]2C)cc1
• InChI: InChI=1S/C37H41N3O5Si/c1-24-34(46(3,4)30-17-15-29(44-2)16-18-30)33(20-21-41)45-37(24)31-22-28(39-35(42)26-10-12-27(38)13-11-26)14-19-32(31)40(36(37)43)23-25-8-6-5-7-9-25/h5-19,22,24,33-34,41H,20-21,23,38H2,1-4H3,(H,39,42)/t24-,33+,34-,37+/m1/s1
• InChIKey: CXIASOUZLMNCCU-IDVJDEGWSA-N
• XLogP: 5.67
• TPSA: 114.12 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	635.84
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

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-[(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 4-amino-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 23985364) is 4-amino-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 4-amino-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 4-amino-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)c5ccc(N)cc5)cc43)[C@@H]2C)cc1.

What is the InChIKey of 4-amino-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 CXIASOUZLMNCCU-IDVJDEGWSA-N. The full InChI is InChI=1S/C37H41N3O5Si/c1-24-34(46(3,4)30-17-15-29(44-2)16-18-30)33(20-21-41)45-37(24)31-22-28(39-35(42)26-10-12-27(38)13-11-26)14-19-32(31)40(36(37)43)23-25-8-6-5-7-9-25/h5-19,22,24,33-34,41H,20-21,23,38H2,1-4H3,(H,39,42)/t24-,33+,34-,37+/m1/s1.

What are the key properties of 4-amino-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?

4-amino-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 635.84 g/mol, XLogP of 5.67, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-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 23985364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).