N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide

C67H96N2O6Si3 — CID 10748727

About N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide (PubChem CID 10748727) has the molecular formula C67H96N2O6Si3 and a molecular weight of 1109.77 g/mol. Its IUPAC name is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide
• PubChem CID: 10748727
• Molecular Formula: C67H96N2O6Si3
• Molecular Weight: 1109.77 g/mol
• Exact Mass: 1108.66
• IUPAC Name: N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide
• SMILES: CCC1(N(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)c2ccccc2CCC(=O)Cc2ccc(C)cc2C(=O)N(CCO[Si](C)(C)C(C)(C)C)C(C)(C)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)CCCC1
• InChI: InChI=1S/C67H96N2O6Si3/c1-18-67(43-27-28-44-67)69(46-48-74-78(65(9,10)11,57-30-21-19-22-31-57)58-32-23-20-24-33-58)61(71)59-34-26-25-29-52(59)37-40-55(70)50-53-36-35-51(2)49-60(53)62(72)68(45-47-73-76(14,15)63(3,4)5)66(12,13)54-38-41-56(42-39-54)75-77(16,17)64(6,7)8/h19-26,29-36,38-39,41-42,49H,18,27-28,37,40,43-48,50H2,1-17H3
• InChIKey: YTQOZALPFSOJER-UHFFFAOYSA-N
• XLogP: 15.26
• TPSA: 85.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 23
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1109.77
LogP ≤ 5	15.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide?

The IUPAC name of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide (CID 10748727) is N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide.

What is the SMILES notation for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide?

The canonical SMILES for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide is CCC1(N(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)c2ccccc2CCC(=O)Cc2ccc(C)cc2C(=O)N(CCO[Si](C)(C)C(C)(C)C)C(C)(C)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)CCCC1.

What is the InChIKey of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide?

The InChIKey is YTQOZALPFSOJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H96N2O6Si3/c1-18-67(43-27-28-44-67)69(46-48-74-78(65(9,10)11,57-30-21-19-22-31-57)58-32-23-20-24-33-58)61(71)59-34-26-25-29-52(59)37-40-55(70)50-53-36-35-51(2)49-60(53)62(72)68(45-47-73-76(14,15)63(3,4)5)66(12,13)54-38-41-56(42-39-54)75-77(16,17)64(6,7)8/h19-26,29-36,38-39,41-42,49H,18,27-28,37,40,43-48,50H2,1-17H3.

What are the key properties of N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide?

N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide has a molecular weight of 1109.77 g/mol, XLogP of 15.26, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-N-[2-[4-[tert-butyl(dimethyl)silyl]oxyphenyl]propan-2-yl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-methylbenzamide is sourced from PubChem (CID 10748727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).