N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide

C35H33NO2Si — CID 102046469

IUPACN-benzyl-4-phenyl-2-triphenylsilyloxybutanamide
SMILESO=C(NCc1ccccc1)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H33NO2Si/c37-35(36-28-30-18-8-2-9-19-30)34(27-26-29-16-6-1-7-17-29)38-39(31-20-10-3-11-21-31,32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34H,26-28H2,(H,36,37)
InChIKeyDSLDJJPYEKLPHJ-UHFFFAOYSA-N
MW527.74 g/mol
LogP4.99
Rot. Bonds11

About N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide

N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide (PubChem CID 102046469) has the molecular formula C35H33NO2Si and a molecular weight of 527.74 g/mol. Its IUPAC name is N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide.

Molecular Properties

Compound NameN-benzyl-4-phenyl-2-triphenylsilyloxybutanamide
PubChem CID102046469
Molecular FormulaC35H33NO2Si
Molecular Weight527.74 g/mol
Exact Mass527.23
IUPAC NameN-benzyl-4-phenyl-2-triphenylsilyloxybutanamide
SMILESO=C(NCc1ccccc1)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C35H33NO2Si/c37-35(36-28-30-18-8-2-9-19-30)34(27-26-29-16-6-1-7-17-29)38-39(31-20-10-3-11-21-31,32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34H,26-28H2,(H,36,37)
InChIKeyDSLDJJPYEKLPHJ-UHFFFAOYSA-N
XLogP4.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.74
LogP ≤ 54.99
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
(E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide
CID 102046477
N-cyclohexyl-2-phenyl-2-triphenylsilyloxyacetamide
CID 102046478
4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide
CID 135004659
[1-(Benzylamino)-1-oxo-4-phenylbutan-2-yl]oxy-oxo-phenylphosphanium
CID 135064624
3-(dibenzylamino)-2-hydroxy-4-phenyl-N-(2-phenylethyl)butanamide
CID 170909427
N-benzyl-3-(dibenzylamino)-2-hydroxy-4-phenylbutanamide
CID 170909444
(4S)-5-[tert-butyl(dimethyl)silyl]oxy-4-[[(2R)-2-hydroxy-3-phenylpropanoyl]amino]-N-tritylpentanamide
CID 10919301
N-[3-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-1-phenylpropyl]octanamide
CID 18339930
N,2-dibenzyl-3-[[(2S)-2-benzyl-3-(benzylamino)-3-oxopropyl]-diphenylsilyl]propanamide
CID 58680527
(2R)-N,2-dibenzyl-4-[[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-diphenylsilyl]butanamide
CID 58680539

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide?
The IUPAC name of N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide (CID 102046469) is N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide.
What is the SMILES notation for N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide?
The canonical SMILES for N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide is O=C(NCc1ccccc1)C(CCc1ccccc1)O[Si](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide?
The InChIKey is DSLDJJPYEKLPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33NO2Si/c37-35(36-28-30-18-8-2-9-19-30)34(27-26-29-16-6-1-7-17-29)38-39(31-20-10-3-11-21-31,32-22-12-4-13-23-32)33-24-14-5-15-25-33/h1-25,34H,26-28H2,(H,36,37).
What are the key properties of N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide?
N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide has a molecular weight of 527.74 g/mol, XLogP of 4.99, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-phenyl-2-triphenylsilyloxybutanamide is sourced from PubChem (CID 102046469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).