(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide

C32H51NO3Si — CID 134917992

IUPAC(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide
SMILESCCCC[Si](CCCC)(CCCC)OCC[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H51NO3Si/c1-6-9-24-37(25-10-7-2,26-11-8-3)36-23-22-30(28-18-14-12-15-19-28)32(35)33(5)27(4)31(34)29-20-16-13-17-21-29/h12-21,27,30-31,34H,6-11,22-26H2,1-5H3/t27-,30-,31+/m0/s1
InChIKeyVCDFKNCGBODDCD-FKCXQASGSA-N
MW525.85 g/mol
LogP8.10
Rot. Bonds18

About (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide

(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide (PubChem CID 134917992) has the molecular formula C32H51NO3Si and a molecular weight of 525.85 g/mol. Its IUPAC name is (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide.

Molecular Properties

Compound Name(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide
PubChem CID134917992
Molecular FormulaC32H51NO3Si
Molecular Weight525.85 g/mol
Exact Mass525.36
IUPAC Name(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide
SMILESCCCC[Si](CCCC)(CCCC)OCC[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H51NO3Si/c1-6-9-24-37(25-10-7-2,26-11-8-3)36-23-22-30(28-18-14-12-15-19-28)32(35)33(5)27(4)31(34)29-20-16-13-17-21-29/h12-21,27,30-31,34H,6-11,22-26H2,1-5H3/t27-,30-,31+/m0/s1
InChIKeyVCDFKNCGBODDCD-FKCXQASGSA-N
XLogP8.10
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.85
LogP ≤ 58.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 24761779
(4R,5R)-5-((S)-Hydroxy-phenyl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 13825991
N-[(1S,2S)-2-Hydroxy-1-methyl-2-phenylethyl]-N-methylbenzeneacetamide
CID 15337649
N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
CID 44456514
N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
CID 44456544
N-[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
CID 44456568
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyltetradecanamide
CID 44456886
2-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 11370086
(2S)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
CID 15306469
(2R)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-3-phenylpropanamide
CID 15357555
2-(3,4-difluorophenyl)-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methylacetamide
CID 101181604
2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
CID 134917699

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide?
The IUPAC name of (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide (CID 134917992) is (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide.
What is the SMILES notation for (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide?
The canonical SMILES for (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide is CCCC[Si](CCCC)(CCCC)OCC[C@H](C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide?
The InChIKey is VCDFKNCGBODDCD-FKCXQASGSA-N. The full InChI is InChI=1S/C32H51NO3Si/c1-6-9-24-37(25-10-7-2,26-11-8-3)36-23-22-30(28-18-14-12-15-19-28)32(35)33(5)27(4)31(34)29-20-16-13-17-21-29/h12-21,27,30-31,34H,6-11,22-26H2,1-5H3/t27-,30-,31+/m0/s1.
What are the key properties of (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide?
(2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide has a molecular weight of 525.85 g/mol, XLogP of 8.10, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenyl-4-tributylsilyloxybutanamide is sourced from PubChem (CID 134917992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).