(2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide

C28H43NO4Si — CID 10528914

IUPAC(2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@@H](Cc1ccccc1)C[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H43NO4Si/c1-21(26(31)23-16-12-9-13-17-23)29(5)27(32)24(18-22-14-10-8-11-15-22)19-25(30)20-33-34(6,7)28(2,3)4/h8-17,21,24-26,30-31H,18-20H2,1-7H3/t21-,24-,25+,26+/m0/s1
InChIKeyZKQGWYGPVXYNNN-DTGGKOQTSA-N
MW485.74 g/mol
LogP5.20
Rot. Bonds11

About (2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide

(2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide (PubChem CID 10528914) has the molecular formula C28H43NO4Si and a molecular weight of 485.74 g/mol. Its IUPAC name is (2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide.

Molecular Properties

Compound Name(2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide
PubChem CID10528914
Molecular FormulaC28H43NO4Si
Molecular Weight485.74 g/mol
Exact Mass485.30
IUPAC Name(2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide
SMILESC[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@@H](Cc1ccccc1)C[C@@H](O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C28H43NO4Si/c1-21(26(31)23-16-12-9-13-17-23)29(5)27(32)24(18-22-14-10-8-11-15-22)19-25(30)20-33-34(6,7)28(2,3)4/h8-17,21,24-26,30-31H,18-20H2,1-7H3/t21-,24-,25+,26+/m0/s1
InChIKeyZKQGWYGPVXYNNN-DTGGKOQTSA-N
XLogP5.20
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.74
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
(4R,5R)-5-((S)-Hydroxy-p-tolyl-methyl)-1-methyl-4-phenyl-pyrrolidin-2-one
CID 44397902
N-[(1S,2S)-2-Hydroxy-1-methyl-2-phenylethyl]-N-methylbenzeneacetamide
CID 15337649
(2S)-2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
CID 15306469
2-fluoro-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
CID 134917699
(2R,3R)-3-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethyl-3-phenylpropanamide
CID 10903545
(1S,2S)-Pseudoephedrine-(R)-2-methylhydrocinnamamide
CID 10870651
N-((1S,2S)-1-Hydroxy-1-phenylpropan-2-yl)-N-methyl-3-phenylpropanamide
CID 11077352
N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N-methyl-2-phenylacetamide
CID 11289079
(4R,5R)-5-[(R)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 11323494
(4S,5S)-5-[(S)-hydroxy(phenyl)methyl]-1-methyl-4-phenylpyrrolidin-2-one
CID 13825992

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide?
The IUPAC name of (2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide (CID 10528914) is (2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide.
What is the SMILES notation for (2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide?
The canonical SMILES for (2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide is C[C@@H]([C@@H](O)c1ccccc1)N(C)C(=O)[C@@H](Cc1ccccc1)C[C@@H](O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide?
The InChIKey is ZKQGWYGPVXYNNN-DTGGKOQTSA-N. The full InChI is InChI=1S/C28H43NO4Si/c1-21(26(31)23-16-12-9-13-17-23)29(5)27(32)24(18-22-14-10-8-11-15-22)19-25(30)20-33-34(6,7)28(2,3)4/h8-17,21,24-26,30-31H,18-20H2,1-7H3/t21-,24-,25+,26+/m0/s1.
What are the key properties of (2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide?
(2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide has a molecular weight of 485.74 g/mol, XLogP of 5.20, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-benzyl-5-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N-methylpentanamide is sourced from PubChem (CID 10528914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).