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

C41H44N4O6Si — CID 23900300

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

N-benzyl-N-(2-hydroxyethyl)-2-[(2'R,3R,3'S,4'R)-3'-[(4-methoxyphenyl)-dimethylsilyl]-1,4'-dimethyl-2-oxo-5-(1-oxophthalazin-2-yl)spiro[indole-3,5'-oxolane]-2'-yl]acetamide (PubChem CID 23900300) has the molecular formula C41H44N4O6Si and a molecular weight of 716.91 g/mol. Its IUPAC name is N-benzyl-N-(2-hydroxyethyl)-2-[(2'R,3R,3'S,4'R)-3'-[(4-methoxyphenyl)-dimethylsilyl]-1,4'-dimethyl-2-oxo-5-(1-oxophthalazin-2-yl)spiro[indole-3,5'-oxolane]-2'-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-N-(2-hydroxyethyl)-2-[(2'R,3R,3'S,4'R)-3'-[(4-methoxyphenyl)-dimethylsilyl]-1,4'-dimethyl-2-oxo-5-(1-oxophthalazin-2-yl)spiro[indole-3,5'-oxolane]-2'-yl]acetamide
• PubChem CID: 23900300
• Molecular Formula: C41H44N4O6Si
• Molecular Weight: 716.91 g/mol
• Exact Mass: 716.30
• IUPAC Name: N-benzyl-N-(2-hydroxyethyl)-2-[(2'R,3R,3'S,4'R)-3'-[(4-methoxyphenyl)-dimethylsilyl]-1,4'-dimethyl-2-oxo-5-(1-oxophthalazin-2-yl)spiro[indole-3,5'-oxolane]-2'-yl]acetamide
• SMILES: COc1ccc([Si](C)(C)[C@@H]2[C@@H](CC(=O)N(CCO)Cc3ccccc3)O[C@]3(C(=O)N(C)c4ccc(-n5ncc6ccccc6c5=O)cc43)[C@H]2C)cc1
• InChI: InChI=1S/C41H44N4O6Si/c1-27-38(52(4,5)32-18-16-31(50-3)17-19-32)36(24-37(47)44(21-22-46)26-28-11-7-6-8-12-28)51-41(27)34-23-30(15-20-35(34)43(2)40(41)49)45-39(48)33-14-10-9-13-29(33)25-42-45/h6-20,23,25,27,36,38,46H,21-22,24,26H2,1-5H3/t27-,36+,38-,41+/m0/s1
• InChIKey: APJLTSLZOYMLPE-ZQEYZYNYSA-N
• XLogP: 5.00
• TPSA: 114.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	716.91
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-benzyl-N-(2-hydroxyethyl)-2-[(2'R,3R,3'S,4'R)-3'-[(4-methoxyphenyl)-dimethylsilyl]-1,4'-dimethyl-2-oxo-5-(1-oxophthalazin-2-yl)spiro[indole-3,5'-oxolane]-2'-yl]acetamide (CID 23900300) is N-benzyl-N-(2-hydroxyethyl)-2-[(2'R,3R,3'S,4'R)-3'-[(4-methoxyphenyl)-dimethylsilyl]-1,4'-dimethyl-2-oxo-5-(1-oxophthalazin-2-yl)spiro[indole-3,5'-oxolane]-2'-yl]acetamide.

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

The canonical SMILES for N-benzyl-N-(2-hydroxyethyl)-2-[(2'R,3R,3'S,4'R)-3'-[(4-methoxyphenyl)-dimethylsilyl]-1,4'-dimethyl-2-oxo-5-(1-oxophthalazin-2-yl)spiro[indole-3,5'-oxolane]-2'-yl]acetamide is COc1ccc([Si](C)(C)[C@@H]2[C@@H](CC(=O)N(CCO)Cc3ccccc3)O[C@]3(C(=O)N(C)c4ccc(-n5ncc6ccccc6c5=O)cc43)[C@H]2C)cc1.

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

The InChIKey is APJLTSLZOYMLPE-ZQEYZYNYSA-N. The full InChI is InChI=1S/C41H44N4O6Si/c1-27-38(52(4,5)32-18-16-31(50-3)17-19-32)36(24-37(47)44(21-22-46)26-28-11-7-6-8-12-28)51-41(27)34-23-30(15-20-35(34)43(2)40(41)49)45-39(48)33-14-10-9-13-29(33)25-42-45/h6-20,23,25,27,36,38,46H,21-22,24,26H2,1-5H3/t27-,36+,38-,41+/m0/s1.

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

N-benzyl-N-(2-hydroxyethyl)-2-[(2'R,3R,3'S,4'R)-3'-[(4-methoxyphenyl)-dimethylsilyl]-1,4'-dimethyl-2-oxo-5-(1-oxophthalazin-2-yl)spiro[indole-3,5'-oxolane]-2'-yl]acetamide has a molecular weight of 716.91 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-N-(2-hydroxyethyl)-2-[(2'R,3R,3'S,4'R)-3'-[(4-methoxyphenyl)-dimethylsilyl]-1,4'-dimethyl-2-oxo-5-(1-oxophthalazin-2-yl)spiro[indole-3,5'-oxolane]-2'-yl]acetamide is sourced from PubChem (CID 23900300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).