2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide

C24H41NO5Si — CID 10389126

IUPAC2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)C[C@H]1O[C@@H](c2ccccc2)O[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C24H41NO5Si/c1-17(16-28-31(8,9)24(3,4)5)22-18(2)20(15-21(26)25(6)27-7)29-23(30-22)19-13-11-10-12-14-19/h10-14,17-18,20,22-23H,15-16H2,1-9H3/t17-,18-,20-,22+,23-/m1/s1
InChIKeyVFHBKTMVASYCIK-YPBQMLHOSA-N
MW451.68 g/mol
LogP5.17
Rot. Bonds8

About 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide

2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide (PubChem CID 10389126) has the molecular formula C24H41NO5Si and a molecular weight of 451.68 g/mol. Its IUPAC name is 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide
PubChem CID10389126
Molecular FormulaC24H41NO5Si
Molecular Weight451.68 g/mol
Exact Mass451.28
IUPAC Name2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)C[C@H]1O[C@@H](c2ccccc2)O[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C24H41NO5Si/c1-17(16-28-31(8,9)24(3,4)5)22-18(2)20(15-21(26)25(6)27-7)29-23(30-22)19-13-11-10-12-14-19/h10-14,17-18,20,22-23H,15-16H2,1-9H3/t17-,18-,20-,22+,23-/m1/s1
InChIKeyVFHBKTMVASYCIK-YPBQMLHOSA-N
XLogP5.17
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.68
LogP ≤ 55.17
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 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide (CID 10389126) is 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide is CON(C)C(=O)C[C@H]1O[C@@H](c2ccccc2)O[C@@H]([C@H](C)CO[Si](C)(C)C(C)(C)C)[C@@H]1C.
What is the InChIKey of 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide?
The InChIKey is VFHBKTMVASYCIK-YPBQMLHOSA-N. The full InChI is InChI=1S/C24H41NO5Si/c1-17(16-28-31(8,9)24(3,4)5)22-18(2)20(15-21(26)25(6)27-7)29-23(30-22)19-13-11-10-12-14-19/h10-14,17-18,20,22-23H,15-16H2,1-9H3/t17-,18-,20-,22+,23-/m1/s1.
What are the key properties of 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide?
2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide has a molecular weight of 451.68 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(dimethyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 10389126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).