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

C21H37NO3Si — CID 134839809

IUPAC(2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)C(=O)[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H37NO3Si/c1-16(14-15-25-26(7,8)21(3,4)5)20(24)22(6)17(2)19(23)18-12-10-9-11-13-18/h9-13,16-17,19,23H,14-15H2,1-8H3/t16-,17+,19-/m0/s1
InChIKeyOTBYLFPZSPQDBL-SCTDSRPQSA-N
MW379.62 g/mol
LogP4.61
Rot. Bonds8

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

(2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide (PubChem CID 134839809) has the molecular formula C21H37NO3Si and a molecular weight of 379.62 g/mol. Its IUPAC name is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide
PubChem CID134839809
Molecular FormulaC21H37NO3Si
Molecular Weight379.62 g/mol
Exact Mass379.25
IUPAC Name(2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)C(=O)[C@@H](C)CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H37NO3Si/c1-16(14-15-25-26(7,8)21(3,4)5)20(24)22(6)17(2)19(23)18-12-10-9-11-13-18/h9-13,16-17,19,23H,14-15H2,1-8H3/t16-,17+,19-/m0/s1
InChIKeyOTBYLFPZSPQDBL-SCTDSRPQSA-N
XLogP4.61
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.62
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide?
The IUPAC name of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide (CID 134839809) is (2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide.
What is the SMILES notation for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide?
The canonical SMILES for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide is C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)[C@@H](C)CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide?
The InChIKey is OTBYLFPZSPQDBL-SCTDSRPQSA-N. The full InChI is InChI=1S/C21H37NO3Si/c1-16(14-15-25-26(7,8)21(3,4)5)20(24)22(6)17(2)19(23)18-12-10-9-11-13-18/h9-13,16-17,19,23H,14-15H2,1-8H3/t16-,17+,19-/m0/s1.
What are the key properties of (2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide?
(2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide has a molecular weight of 379.62 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide is sourced from PubChem (CID 134839809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).