N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide

C32H35NO2Si — CID 102046471

IUPACN-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide
SMILESCC(C)(C)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H35NO2Si/c1-32(2,3)33-31(34)30(25-24-26-16-8-4-9-17-26)35-36(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-23,30H,24-25H2,1-3H3,(H,33,34)
InChIKeyQBNGKOHGDKLHAY-UHFFFAOYSA-N
MW493.72 g/mol
LogP4.59
Rot. Bonds9

About N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide

N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide (PubChem CID 102046471) has the molecular formula C32H35NO2Si and a molecular weight of 493.72 g/mol. Its IUPAC name is N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide.

Molecular Properties

Compound NameN-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide
PubChem CID102046471
Molecular FormulaC32H35NO2Si
Molecular Weight493.72 g/mol
Exact Mass493.24
IUPAC NameN-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide
SMILESCC(C)(C)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C32H35NO2Si/c1-32(2,3)33-31(34)30(25-24-26-16-8-4-9-17-26)35-36(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-23,30H,24-25H2,1-3H3,(H,33,34)
InChIKeyQBNGKOHGDKLHAY-UHFFFAOYSA-N
XLogP4.59
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.72
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide
CID 102046470
N,2-dicyclohexyl-2-triphenylsilyloxyacetamide
CID 102046475
N-cyclohexyl-2-phenyl-2-triphenylsilyloxyacetamide
CID 102046478
4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide
CID 135004659
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
2-[tert-butyl(diphenyl)silyl]oxy-4-phenyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 102046468
N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide
CID 102046469
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 N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide?
The IUPAC name of N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide (CID 102046471) is N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide.
What is the SMILES notation for N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide?
The canonical SMILES for N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide is CC(C)(C)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide?
The InChIKey is QBNGKOHGDKLHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35NO2Si/c1-32(2,3)33-31(34)30(25-24-26-16-8-4-9-17-26)35-36(27-18-10-5-11-19-27,28-20-12-6-13-21-28)29-22-14-7-15-23-29/h4-23,30H,24-25H2,1-3H3,(H,33,34).
What are the key properties of N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide?
N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide has a molecular weight of 493.72 g/mol, XLogP of 4.59, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-phenyl-2-triphenylsilyloxybutanamide is sourced from PubChem (CID 102046471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).