N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide

C70H83ClN2O5Si2 — CID 10510422

IUPACN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide
SMILESCCC1(N(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)c2ccccc2CCC(=O)Cc2ccc(Cl)cc2C(=O)N(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)(C)c2ccccc2)CCCC1
InChIInChI=1S/C70H83ClN2O5Si2/c1-10-70(46-28-29-47-70)73(49-51-78-80(68(5,6)7,61-37-22-14-23-38-61)62-39-24-15-25-40-62)65(75)63-41-27-26-30-54(63)43-45-58(74)52-55-42-44-57(71)53-64(55)66(76)72(69(8,9)56-31-16-11-17-32-56)48-50-77-79(67(2,3)4,59-33-18-12-19-34-59)60-35-20-13-21-36-60/h11-27,30-42,44,53H,10,28-29,43,45-52H2,1-9H3
InChIKeyUGLPJYXGEOAIOM-UHFFFAOYSA-N
MW1124.07 g/mol
LogP13.78
Rot. Bonds23

About N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide

N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide (PubChem CID 10510422) has the molecular formula C70H83ClN2O5Si2 and a molecular weight of 1124.07 g/mol. Its IUPAC name is N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide
PubChem CID10510422
Molecular FormulaC70H83ClN2O5Si2
Molecular Weight1124.07 g/mol
Exact Mass1122.55
IUPAC NameN-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide
SMILESCCC1(N(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)c2ccccc2CCC(=O)Cc2ccc(Cl)cc2C(=O)N(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)(C)c2ccccc2)CCCC1
InChIInChI=1S/C70H83ClN2O5Si2/c1-10-70(46-28-29-47-70)73(49-51-78-80(68(5,6)7,61-37-22-14-23-38-61)62-39-24-15-25-40-62)65(75)63-41-27-26-30-54(63)43-45-58(74)52-55-42-44-57(71)53-64(55)66(76)72(69(8,9)56-31-16-11-17-32-56)48-50-77-79(67(2,3)4,59-33-18-12-19-34-59)60-35-20-13-21-36-60/h11-27,30-42,44,53H,10,28-29,43,45-52H2,1-9H3
InChIKeyUGLPJYXGEOAIOM-UHFFFAOYSA-N
XLogP13.78
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds23
Heavy Atoms80
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001124.07
LogP ≤ 513.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide?
The IUPAC name of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide (CID 10510422) is N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide.
What is the SMILES notation for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide?
The canonical SMILES for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide is CCC1(N(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(=O)c2ccccc2CCC(=O)Cc2ccc(Cl)cc2C(=O)N(CCO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)C(C)(C)c2ccccc2)CCCC1.
What is the InChIKey of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide?
The InChIKey is UGLPJYXGEOAIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H83ClN2O5Si2/c1-10-70(46-28-29-47-70)73(49-51-78-80(68(5,6)7,61-37-22-14-23-38-61)62-39-24-15-25-40-62)65(75)63-41-27-26-30-54(63)43-45-58(74)52-55-42-44-57(71)53-64(55)66(76)72(69(8,9)56-31-16-11-17-32-56)48-50-77-79(67(2,3)4,59-33-18-12-19-34-59)60-35-20-13-21-36-60/h11-27,30-42,44,53H,10,28-29,43,45-52H2,1-9H3.
What are the key properties of N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide?
N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide has a molecular weight of 1124.07 g/mol, XLogP of 13.78, 23 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-2-[4-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl-(1-ethylcyclopentyl)carbamoyl]phenyl]-2-oxobutyl]-5-chloro-N-(2-phenylpropan-2-yl)benzamide is sourced from PubChem (CID 10510422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).