2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide

C34H47NO2Si — CID 102046468

IUPAC2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H47NO2Si/c1-32(2,3)26-34(7,8)35-31(36)30(25-24-27-18-12-9-13-19-27)37-38(33(4,5)6,28-20-14-10-15-21-28)29-22-16-11-17-23-29/h9-23,30H,24-26H2,1-8H3,(H,35,36)
InChIKeyMHIHDAGIHAMAKL-UHFFFAOYSA-N
MW529.84 g/mol
LogP6.90
Rot. Bonds10

About 2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide

2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide (PubChem CID 102046468) has the molecular formula C34H47NO2Si and a molecular weight of 529.84 g/mol. Its IUPAC name is 2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
PubChem CID102046468
Molecular FormulaC34H47NO2Si
Molecular Weight529.84 g/mol
Exact Mass529.34
IUPAC Name2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC(C)(C)CC(C)(C)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C34H47NO2Si/c1-32(2,3)26-34(7,8)35-31(36)30(25-24-27-18-12-9-13-19-27)37-38(33(4,5)6,28-20-14-10-15-21-28)29-22-16-11-17-23-29/h9-23,30H,24-26H2,1-8H3,(H,35,36)
InChIKeyMHIHDAGIHAMAKL-UHFFFAOYSA-N
XLogP6.90
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.84
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide
CID 102046470
N,2-dicyclohexyl-2-triphenylsilyloxyacetamide
CID 102046475
4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide
CID 135004659
Oxo-[1-oxo-4-phenyl-1-(2,4,4-trimethylpentan-2-ylamino)butan-2-yl]oxy-phenylphosphanium
CID 135064193
N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide
CID 12968559
(2S)-2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 11694982
2-hydroxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 73064783
4-phenyl-N-(2,4,4-trimethylpentan-2-yl)-2-triphenylsilyloxybutanamide
CID 101506628
4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 102046467
N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide
CID 102046471
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-phenylpropan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide
CID 102046472
N-[(2S)-1-[tert-butyl(dimethyl)silyl]oxy-3-methylbutan-2-yl]-4-phenyl-2-triphenylsilyloxybutanamide
CID 102046473

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The IUPAC name of 2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide (CID 102046468) is 2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide.
What is the SMILES notation for 2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The canonical SMILES for 2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide is CC(C)(C)CC(C)(C)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The InChIKey is MHIHDAGIHAMAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H47NO2Si/c1-32(2,3)26-34(7,8)35-31(36)30(25-24-27-18-12-9-13-19-27)37-38(33(4,5)6,28-20-14-10-15-21-28)29-22-16-11-17-23-29/h9-23,30H,24-26H2,1-8H3,(H,35,36).
What are the key properties of 2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide?
2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide has a molecular weight of 529.84 g/mol, XLogP of 6.90, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide is sourced from PubChem (CID 102046468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).