4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide

C37H45NO2Si — CID 135004659

IUPAC4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide
SMILESCCC(C)(C)CC(C)(C)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H45NO2Si/c1-6-36(2,3)29-37(4,5)38-35(39)34(28-27-30-19-11-7-12-20-30)40-41(31-21-13-8-14-22-31,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-26,34H,6,27-29H2,1-5H3,(H,38,39)
InChIKeyFRNVVMKGEZPUPE-UHFFFAOYSA-N
MW563.86 g/mol
LogP6.39
Rot. Bonds13

About 4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide

4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide (PubChem CID 135004659) has the molecular formula C37H45NO2Si and a molecular weight of 563.86 g/mol. Its IUPAC name is 4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide.

Molecular Properties

Compound Name4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide
PubChem CID135004659
Molecular FormulaC37H45NO2Si
Molecular Weight563.86 g/mol
Exact Mass563.32
IUPAC Name4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide
SMILESCCC(C)(C)CC(C)(C)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H45NO2Si/c1-6-36(2,3)29-37(4,5)38-35(39)34(28-27-30-19-11-7-12-20-30)40-41(31-21-13-8-14-22-31,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-26,34H,6,27-29H2,1-5H3,(H,38,39)
InChIKeyFRNVVMKGEZPUPE-UHFFFAOYSA-N
XLogP6.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.86
LogP ≤ 56.39
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'}

Analyze 4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide with MolForge

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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-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-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 4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide?
The IUPAC name of 4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide (CID 135004659) is 4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide.
What is the SMILES notation for 4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide?
The canonical SMILES for 4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide is CCC(C)(C)CC(C)(C)NC(=O)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide?
The InChIKey is FRNVVMKGEZPUPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H45NO2Si/c1-6-36(2,3)29-37(4,5)38-35(39)34(28-27-30-19-11-7-12-20-30)40-41(31-21-13-8-14-22-31,32-23-15-9-16-24-32)33-25-17-10-18-26-33/h7-26,34H,6,27-29H2,1-5H3,(H,38,39).
What are the key properties of 4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide?
4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide has a molecular weight of 563.86 g/mol, XLogP of 6.39, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide is sourced from PubChem (CID 135004659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).