N-benzyl-2-[(2'R,3R,3'S,4'R)-5-(N-formylanilino)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-phenylspiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide

C45H47N3O6Si — CID 23900303

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

N-benzyl-2-[(2'R,3R,3'S,4'R)-5-(N-formylanilino)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-phenylspiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (PubChem CID 23900303) has the molecular formula C45H47N3O6Si and a molecular weight of 753.97 g/mol. Its IUPAC name is N-benzyl-2-[(2'R,3R,3'S,4'R)-5-(N-formylanilino)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-phenylspiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[(2'R,3R,3'S,4'R)-5-(N-formylanilino)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-phenylspiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
• PubChem CID: 23900303
• Molecular Formula: C45H47N3O6Si
• Molecular Weight: 753.97 g/mol
• Exact Mass: 753.32
• IUPAC Name: N-benzyl-2-[(2'R,3R,3'S,4'R)-5-(N-formylanilino)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-phenylspiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide
• SMILES: COc1ccc([Si](C)(C)[C@@H]2[C@@H](CC(=O)N(CCO)Cc3ccccc3)O[C@]3(C(=O)N(c4ccccc4)c4ccc(N(C=O)c5ccccc5)cc43)[C@H]2C)cc1
• InChI: InChI=1S/C45H47N3O6Si/c1-32-43(55(3,4)38-23-21-37(53-2)22-24-38)41(29-42(51)46(26-27-49)30-33-14-8-5-9-15-33)54-45(32)39-28-36(47(31-50)34-16-10-6-11-17-34)20-25-40(39)48(44(45)52)35-18-12-7-13-19-35/h5-25,28,31-32,41,43,49H,26-27,29-30H2,1-4H3/t32-,41+,43-,45+/m0/s1
• InChIKey: RDMKPZYVDVFBAM-SCCXJCMQSA-N
• XLogP: 7.30
• TPSA: 99.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	753.97
LogP ≤ 5	7.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(2'R,3R,3'S,4'R)-5-(N-formylanilino)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-phenylspiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide?

The IUPAC name of N-benzyl-2-[(2'R,3R,3'S,4'R)-5-(N-formylanilino)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-phenylspiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide (CID 23900303) is N-benzyl-2-[(2'R,3R,3'S,4'R)-5-(N-formylanilino)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-phenylspiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide.

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

The canonical SMILES for N-benzyl-2-[(2'R,3R,3'S,4'R)-5-(N-formylanilino)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-phenylspiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is COc1ccc([Si](C)(C)[C@@H]2[C@@H](CC(=O)N(CCO)Cc3ccccc3)O[C@]3(C(=O)N(c4ccccc4)c4ccc(N(C=O)c5ccccc5)cc43)[C@H]2C)cc1.

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

The InChIKey is RDMKPZYVDVFBAM-SCCXJCMQSA-N. The full InChI is InChI=1S/C45H47N3O6Si/c1-32-43(55(3,4)38-23-21-37(53-2)22-24-38)41(29-42(51)46(26-27-49)30-33-14-8-5-9-15-33)54-45(32)39-28-36(47(31-50)34-16-10-6-11-17-34)20-25-40(39)48(44(45)52)35-18-12-7-13-19-35/h5-25,28,31-32,41,43,49H,26-27,29-30H2,1-4H3/t32-,41+,43-,45+/m0/s1.

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

N-benzyl-2-[(2'R,3R,3'S,4'R)-5-(N-formylanilino)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-phenylspiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide has a molecular weight of 753.97 g/mol, XLogP of 7.30, 13 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(2'R,3R,3'S,4'R)-5-(N-formylanilino)-3'-[(4-methoxyphenyl)-dimethylsilyl]-4'-methyl-2-oxo-1-phenylspiro[indole-3,5'-oxolane]-2'-yl]-N-(2-hydroxyethyl)acetamide is sourced from PubChem (CID 23900303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).