(2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide

C19H31NO5Si — CID 102363440

IUPAC(2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide
SMILESCON(C)C(=O)[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31NO5Si/c1-19(2,3)26(6,7)25-15-13-23-18(14-11-9-8-10-12-14)24-16(15)17(21)20(4)22-5/h8-12,15-16,18H,13H2,1-7H3/t15-,16+,18+/m1/s1
InChIKeyJEKYAGYQWAOLBI-RYRKJORJSA-N
MW381.55 g/mol
LogP3.51
Rot. Bonds5

About (2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide

(2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide (PubChem CID 102363440) has the molecular formula C19H31NO5Si and a molecular weight of 381.55 g/mol. Its IUPAC name is (2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide.

Molecular Properties

Compound Name(2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide
PubChem CID102363440
Molecular FormulaC19H31NO5Si
Molecular Weight381.55 g/mol
Exact Mass381.20
IUPAC Name(2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide
SMILESCON(C)C(=O)[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C19H31NO5Si/c1-19(2,3)26(6,7)25-15-13-23-18(14-11-9-8-10-12-14)24-16(15)17(21)20(4)22-5/h8-12,15-16,18H,13H2,1-7H3/t15-,16+,18+/m1/s1
InChIKeyJEKYAGYQWAOLBI-RYRKJORJSA-N
XLogP3.51
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.55
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 (2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide?
The IUPAC name of (2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide (CID 102363440) is (2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide.
What is the SMILES notation for (2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide?
The canonical SMILES for (2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide is CON(C)C(=O)[C@H]1O[C@@H](c2ccccc2)OC[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide?
The InChIKey is JEKYAGYQWAOLBI-RYRKJORJSA-N. The full InChI is InChI=1S/C19H31NO5Si/c1-19(2,3)26(6,7)25-15-13-23-18(14-11-9-8-10-12-14)24-16(15)17(21)20(4)22-5/h8-12,15-16,18H,13H2,1-7H3/t15-,16+,18+/m1/s1.
What are the key properties of (2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide?
(2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide has a molecular weight of 381.55 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N-methyl-2-phenyl-1,3-dioxane-4-carboxamide is sourced from PubChem (CID 102363440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).