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

C21H37NO3Si — CID 10619732

IUPAC(2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide
SMILESC[C@H](CCO[Si](C)(C)C(C)(C)C)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
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-/m1/s1
InChIKeyOTBYLFPZSPQDBL-ZIFCJYIRSA-N
MW379.62 g/mol
LogP4.61
Rot. Bonds8

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

(2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide (PubChem CID 10619732) has the molecular formula C21H37NO3Si and a molecular weight of 379.62 g/mol. Its IUPAC name is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide.

Molecular Properties

Compound Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide
PubChem CID10619732
Molecular FormulaC21H37NO3Si
Molecular Weight379.62 g/mol
Exact Mass379.25
IUPAC Name(2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide
SMILESC[C@H](CCO[Si](C)(C)C(C)(C)C)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1
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-/m1/s1
InChIKeyOTBYLFPZSPQDBL-ZIFCJYIRSA-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 (2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide?
The IUPAC name of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide (CID 10619732) is (2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide.
What is the SMILES notation for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide?
The canonical SMILES for (2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide is C[C@H](CCO[Si](C)(C)C(C)(C)C)C(=O)N(C)[C@@H](C)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide?
The InChIKey is OTBYLFPZSPQDBL-ZIFCJYIRSA-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-/m1/s1.
What are the key properties of (2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide?
(2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-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 (2R)-4-[tert-butyl(dimethyl)silyl]oxy-N-[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-N,2-dimethylbutanamide is sourced from PubChem (CID 10619732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).