(2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide

C28H41NO4Si — CID 102083279

IUPAC(2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide
SMILESCON(C)C(=O)[C@H]1CC[C@](C)(C[C@@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C28H41NO4Si/c1-22(20-28(5)19-18-25(33-28)26(30)29(6)31-7)21-32-34(27(2,3)4,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22,25H,18-21H2,1-7H3/t22-,25-,28-/m1/s1
InChIKeyLGSVKWLDPPLFGH-WSOLHVCVSA-N
MW483.73 g/mol
LogP4.55
Rot. Bonds9

About (2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide

(2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide (PubChem CID 102083279) has the molecular formula C28H41NO4Si and a molecular weight of 483.73 g/mol. Its IUPAC name is (2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide
PubChem CID102083279
Molecular FormulaC28H41NO4Si
Molecular Weight483.73 g/mol
Exact Mass483.28
IUPAC Name(2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide
SMILESCON(C)C(=O)[C@H]1CC[C@](C)(C[C@@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C28H41NO4Si/c1-22(20-28(5)19-18-25(33-28)26(30)29(6)31-7)21-32-34(27(2,3)4,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22,25H,18-21H2,1-7H3/t22-,25-,28-/m1/s1
InChIKeyLGSVKWLDPPLFGH-WSOLHVCVSA-N
XLogP4.55
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.73
LogP ≤ 54.55
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide?
The IUPAC name of (2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide (CID 102083279) is (2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide.
What is the SMILES notation for (2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide?
The canonical SMILES for (2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide is CON(C)C(=O)[C@H]1CC[C@](C)(C[C@@H](C)CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of (2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide?
The InChIKey is LGSVKWLDPPLFGH-WSOLHVCVSA-N. The full InChI is InChI=1S/C28H41NO4Si/c1-22(20-28(5)19-18-25(33-28)26(30)29(6)31-7)21-32-34(27(2,3)4,23-14-10-8-11-15-23)24-16-12-9-13-17-24/h8-17,22,25H,18-21H2,1-7H3/t22-,25-,28-/m1/s1.
What are the key properties of (2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide?
(2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide has a molecular weight of 483.73 g/mol, XLogP of 4.55, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-[(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropyl]-N-methoxy-N,5-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 102083279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).