2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide

C37H50N4O6Si — CID 70142244

About 2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide

2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide (PubChem CID 70142244) has the molecular formula C37H50N4O6Si and a molecular weight of 674.92 g/mol. Its IUPAC name is 2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide
• PubChem CID: 70142244
• Molecular Formula: C37H50N4O6Si
• Molecular Weight: 674.92 g/mol
• Exact Mass: 674.35
• IUPAC Name: 2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide
• SMILES: CCOC(CN1C(=O)C(NC(=O)Nc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)(C(C(N)=O)c2ccc(C)cc2)c2ccccc21)OCC
• InChI: InChI=1S/C37H50N4O6Si/c1-9-45-31(46-10-2)23-41-30-14-12-11-13-29(30)37(34(41)43,32(33(38)42)27-19-15-25(3)16-20-27)40-35(44)39-28-21-17-26(18-22-28)24-47-48(7,8)36(4,5)6/h11-22,31-32H,9-10,23-24H2,1-8H3,(H2,38,42)(H2,39,40,44)
• InChIKey: VYGMCWGOOLOTLN-UHFFFAOYSA-N
• XLogP: 6.55
• TPSA: 132.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	674.92
LogP ≤ 5	6.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide?

The IUPAC name of 2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide (CID 70142244) is 2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide?

The canonical SMILES for 2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide is CCOC(CN1C(=O)C(NC(=O)Nc2ccc(CO[Si](C)(C)C(C)(C)C)cc2)(C(C(N)=O)c2ccc(C)cc2)c2ccccc21)OCC.

What is the InChIKey of 2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide?

The InChIKey is VYGMCWGOOLOTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H50N4O6Si/c1-9-45-31(46-10-2)23-41-30-14-12-11-13-29(30)37(34(41)43,32(33(38)42)27-19-15-25(3)16-20-27)40-35(44)39-28-21-17-26(18-22-28)24-47-48(7,8)36(4,5)6/h11-22,31-32H,9-10,23-24H2,1-8H3,(H2,38,42)(H2,39,40,44).

What are the key properties of 2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide?

2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 674.92 g/mol, XLogP of 6.55, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]carbamoylamino]-1-(2,2-diethoxyethyl)-2-oxoindol-3-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 70142244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).