4-amino-N-[4-[[(3R,3'R,4'S,5'R)-5-chloro-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide

C30H34ClN3O5Si — CID 23984794

About 4-amino-N-[4-[[(3R,3'R,4'S,5'R)-5-chloro-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide

4-amino-N-[4-[[(3R,3'R,4'S,5'R)-5-chloro-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide (PubChem CID 23984794) has the molecular formula C30H34ClN3O5Si and a molecular weight of 580.16 g/mol. Its IUPAC name is 4-amino-N-[4-[[(3R,3'R,4'S,5'R)-5-chloro-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide.

Molecular Properties

• Compound Name: 4-amino-N-[4-[[(3R,3'R,4'S,5'R)-5-chloro-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide
• PubChem CID: 23984794
• Molecular Formula: C30H34ClN3O5Si
• Molecular Weight: 580.16 g/mol
• Exact Mass: 579.20
• IUPAC Name: 4-amino-N-[4-[[(3R,3'R,4'S,5'R)-5-chloro-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide
• SMILES: C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCO)O[C@]12C(=O)N(Cc1ccc(NC(=O)c3ccc(N)cc3)cc1)c1ccc(Cl)cc12
• InChI: InChI=1S/C30H34ClN3O5Si/c1-18-27(40(2,3)38)26(14-15-35)39-30(18)24-16-21(31)8-13-25(24)34(29(30)37)17-19-4-11-23(12-5-19)33-28(36)20-6-9-22(32)10-7-20/h4-13,16,18,26-27,35,38H,14-15,17,32H2,1-3H3,(H,33,36)/t18-,26+,27-,30+/m0/s1
• InChIKey: RHRRJRYWKUQZIH-GCBBNJKYSA-N
• XLogP: 4.90
• TPSA: 125.12 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.16
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	4
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-[4-[[(3R,3'R,4'S,5'R)-5-chloro-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide?

The IUPAC name of 4-amino-N-[4-[[(3R,3'R,4'S,5'R)-5-chloro-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide (CID 23984794) is 4-amino-N-[4-[[(3R,3'R,4'S,5'R)-5-chloro-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide.

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

The canonical SMILES for 4-amino-N-[4-[[(3R,3'R,4'S,5'R)-5-chloro-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide is C[C@H]1[C@H]([Si](C)(C)O)[C@@H](CCO)O[C@]12C(=O)N(Cc1ccc(NC(=O)c3ccc(N)cc3)cc1)c1ccc(Cl)cc12.

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

The InChIKey is RHRRJRYWKUQZIH-GCBBNJKYSA-N. The full InChI is InChI=1S/C30H34ClN3O5Si/c1-18-27(40(2,3)38)26(14-15-35)39-30(18)24-16-21(31)8-13-25(24)34(29(30)37)17-19-4-11-23(12-5-19)33-28(36)20-6-9-22(32)10-7-20/h4-13,16,18,26-27,35,38H,14-15,17,32H2,1-3H3,(H,33,36)/t18-,26+,27-,30+/m0/s1.

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

4-amino-N-[4-[[(3R,3'R,4'S,5'R)-5-chloro-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide has a molecular weight of 580.16 g/mol, XLogP of 4.90, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-N-[4-[[(3R,3'R,4'S,5'R)-5-chloro-4'-[hydroxy(dimethyl)silyl]-5'-(2-hydroxyethyl)-3'-methyl-2-oxospiro[indole-3,2'-oxolane]-1-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 23984794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).