(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide

C23H33NO4Si — CID 11133483

IUPAC(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide
SMILESCON(C)C(=O)[C@@H](C)[C@@H](CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H33NO4Si/c1-18(22(26)24(5)27-6)21(17-25)28-29(23(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21,25H,17H2,1-6H3/t18-,21+/m0/s1
InChIKeyXFYZQIZPCDWSAU-GHTZIAJQSA-N
MW415.61 g/mol
LogP2.58
Rot. Bonds8

About (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide

(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide (PubChem CID 11133483) has the molecular formula C23H33NO4Si and a molecular weight of 415.61 g/mol. Its IUPAC name is (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide.

Molecular Properties

Compound Name(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide
PubChem CID11133483
Molecular FormulaC23H33NO4Si
Molecular Weight415.61 g/mol
Exact Mass415.22
IUPAC Name(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide
SMILESCON(C)C(=O)[C@@H](C)[C@@H](CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H33NO4Si/c1-18(22(26)24(5)27-6)21(17-25)28-29(23(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21,25H,17H2,1-6H3/t18-,21+/m0/s1
InChIKeyXFYZQIZPCDWSAU-GHTZIAJQSA-N
XLogP2.58
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.61
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,3,3-trimethylbutanamide
CID 11133763
(E,3R)-6-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylhex-4-enamide
CID 17748123
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide
CID 46837809
3-((tert-Butyldiphenylsilyl)oxy)-N-methoxy-N-methylcyclobutanecarboxamide
CID 86634349
(2S,3S)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide
CID 162456137
(2R,3R)-3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide
CID 162456238
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide
CID 173708859
3-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N,2-dimethylpent-4-enamide
CID 173960461
3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide
CID 176289630
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide
CID 176411002
(E,3R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhex-4-enamide
CID 176897382
(3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxy-N-methoxy-N-methylbutanamide
CID 10763597

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide?
The IUPAC name of (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide (CID 11133483) is (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide.
What is the SMILES notation for (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide?
The canonical SMILES for (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide is CON(C)C(=O)[C@@H](C)[C@@H](CO)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide?
The InChIKey is XFYZQIZPCDWSAU-GHTZIAJQSA-N. The full InChI is InChI=1S/C23H33NO4Si/c1-18(22(26)24(5)27-6)21(17-25)28-29(23(2,3)4,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21,25H,17H2,1-6H3/t18-,21+/m0/s1.
What are the key properties of (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide?
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide has a molecular weight of 415.61 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-4-hydroxy-N-methoxy-N,2-dimethylbutanamide is sourced from PubChem (CID 11133483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).