2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide

C57H70N2O5Si — CID 10653282

About 2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide

2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide (PubChem CID 10653282) has the molecular formula C57H70N2O5Si and a molecular weight of 891.28 g/mol. Its IUPAC name is 2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide.

Molecular Properties

• Compound Name: 2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide
• PubChem CID: 10653282
• Molecular Formula: C57H70N2O5Si
• Molecular Weight: 891.28 g/mol
• Exact Mass: 890.51
• IUPAC Name: 2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide
• SMILES: CCC1(N(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)c2ccccc2CCC(=O)Cc2ccc(C)cc2C(=O)N(CCO)C2(c3ccccc3)CCCC2)CCCC1
• InChI: InChI=1S/C57H70N2O5Si/c1-6-56(34-18-19-35-56)58(39-41-64-65(55(3,4)5,49-25-12-8-13-26-49)50-27-14-9-15-28-50)53(62)51-29-17-16-22-45(51)32-33-48(61)43-46-31-30-44(2)42-52(46)54(63)59(38-40-60)57(36-20-21-37-57)47-23-10-7-11-24-47/h7-17,22-31,42,60H,6,18-21,32-41,43H2,1-5H3
• InChIKey: BJLBGRSJJLLBOL-UHFFFAOYSA-N
• XLogP: 10.39
• TPSA: 87.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 19
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	891.28
LogP ≤ 5	10.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide?

The IUPAC name of 2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide (CID 10653282) is 2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide.

What is the SMILES notation for 2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide?

The canonical SMILES for 2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide is CCC1(N(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)c2ccccc2CCC(=O)Cc2ccc(C)cc2C(=O)N(CCO)C2(c3ccccc3)CCCC2)CCCC1.

What is the InChIKey of 2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide?

The InChIKey is BJLBGRSJJLLBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H70N2O5Si/c1-6-56(34-18-19-35-56)58(39-41-64-65(55(3,4)5,49-25-12-8-13-26-49)50-27-14-9-15-28-50)53(62)51-29-17-16-22-45(51)32-33-48(61)43-46-31-30-44(2)42-52(46)54(63)59(38-40-60)57(36-20-21-37-57)47-23-10-7-11-24-47/h7-17,22-31,42,60H,6,18-21,32-41,43H2,1-5H3.

What are the key properties of 2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide?

2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide has a molecular weight of 891.28 g/mol, XLogP of 10.39, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-N-(2-hydroxyethyl)-5-methyl-N-(1-phenylcyclopentyl)benzamide is sourced from PubChem (CID 10653282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).