tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate

C21H37NO4Si — CID 58420082

IUPACtert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate
SMILESCO[C@H](c1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H37NO4Si/c1-20(2,3)26-19(23)22-17(15-25-27(8,9)21(4,5)6)18(24-7)16-13-11-10-12-14-16/h10-14,17-18H,15H2,1-9H3,(H,22,23)/t17-,18-/m1/s1
InChIKeyPMHWSOILUWVICA-QZTJIDSGSA-N
MW395.62 g/mol
LogP5.29
Rot. Bonds7

About tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate

tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate (PubChem CID 58420082) has the molecular formula C21H37NO4Si and a molecular weight of 395.62 g/mol. Its IUPAC name is tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate
PubChem CID58420082
Molecular FormulaC21H37NO4Si
Molecular Weight395.62 g/mol
Exact Mass395.25
IUPAC Nametert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate
SMILESCO[C@H](c1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C
InChIInChI=1S/C21H37NO4Si/c1-20(2,3)26-19(23)22-17(15-25-27(8,9)21(4,5)6)18(24-7)16-13-11-10-12-14-16/h10-14,17-18H,15H2,1-9H3,(H,22,23)/t17-,18-/m1/s1
InChIKeyPMHWSOILUWVICA-QZTJIDSGSA-N
XLogP5.29
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.62
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate (CID 58420082) is tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate is CO[C@H](c1ccccc1)[C@@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate?
The InChIKey is PMHWSOILUWVICA-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H37NO4Si/c1-20(2,3)26-19(23)22-17(15-25-27(8,9)21(4,5)6)18(24-7)16-13-11-10-12-14-16/h10-14,17-18H,15H2,1-9H3,(H,22,23)/t17-,18-/m1/s1.
What are the key properties of tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate?
tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate has a molecular weight of 395.62 g/mol, XLogP of 5.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,2R)-3-[tert-butyl(dimethyl)silyl]oxy-1-methoxy-1-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 58420082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).