4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide

C24H43NO2Si — CID 102046467

IUPAC4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC[Si](CC)(CC)OC(CCc1ccccc1)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C24H43NO2Si/c1-9-28(10-2,11-3)27-21(18-17-20-15-13-12-14-16-20)22(26)25-24(7,8)19-23(4,5)6/h12-16,21H,9-11,17-19H2,1-8H3,(H,25,26)
InChIKeyHWMPTQFXVHPEHJ-UHFFFAOYSA-N
MW405.70 g/mol
LogP6.34
Rot. Bonds11

About 4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide

4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide (PubChem CID 102046467) has the molecular formula C24H43NO2Si and a molecular weight of 405.70 g/mol. Its IUPAC name is 4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide.

Molecular Properties

Compound Name4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide
PubChem CID102046467
Molecular FormulaC24H43NO2Si
Molecular Weight405.70 g/mol
Exact Mass405.31
IUPAC Name4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide
SMILESCC[Si](CC)(CC)OC(CCc1ccccc1)C(=O)NC(C)(C)CC(C)(C)C
InChIInChI=1S/C24H43NO2Si/c1-9-28(10-2,11-3)27-21(18-17-20-15-13-12-14-16-20)22(26)25-24(7,8)19-23(4,5)6/h12-16,21H,9-11,17-19H2,1-8H3,(H,25,26)
InChIKeyHWMPTQFXVHPEHJ-UHFFFAOYSA-N
XLogP6.34
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.70
LogP ≤ 56.34
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-tert-butyl-2-hydroxy-4-phenylbutanamide
CID 72998744
N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide
CID 87349665
N-[(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide
CID 87759429
N-[3-[tert-butyl(dimethyl)silyl]oxy-1-(3-fluorophenyl)-4-oxobutan-2-yl]acetamide
CID 91093633
(2S)-N-tert-butyl-2-hydroxy-4-phenylbutanamide
CID 11535992
[1-(Tert-butylamino)-1-oxo-4-phenylbutan-2-yl] acetate
CID 53253590
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-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide
CID 138970075
N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide
CID 12968559
N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide
CID 12968561
(3S)-4-(2-phenylethyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
CID 57045421

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The IUPAC name of 4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide (CID 102046467) is 4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide.
What is the SMILES notation for 4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The canonical SMILES for 4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide is CC[Si](CC)(CC)OC(CCc1ccccc1)C(=O)NC(C)(C)CC(C)(C)C.
What is the InChIKey of 4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide?
The InChIKey is HWMPTQFXVHPEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43NO2Si/c1-9-28(10-2,11-3)27-21(18-17-20-15-13-12-14-16-20)22(26)25-24(7,8)19-23(4,5)6/h12-16,21H,9-11,17-19H2,1-8H3,(H,25,26).
What are the key properties of 4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide?
4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide has a molecular weight of 405.70 g/mol, XLogP of 6.34, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-triethylsilyloxy-N-(2,4,4-trimethylpentan-2-yl)butanamide is sourced from PubChem (CID 102046467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).