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

C34H45NO5Si — CID 134937912

IUPAC2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(diphenyl)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](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C34H45NO5Si/c1-25(24-38-41(34(3,4)5,28-19-13-9-14-20-28)29-21-15-10-16-22-29)32-26(2)30(23-31(36)35(6)37-7)39-33(40-32)27-17-11-8-12-18-27/h8-22,25-26,30,32-33H,23-24H2,1-7H3/t25-,26-,30-,32+,33-/m1/s1
InChIKeyOTFDAXQVDRDLEW-NEHBKBHBSA-N
MW575.82 g/mol
LogP5.73
Rot. Bonds10

About 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(diphenyl)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(diphenyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide (PubChem CID 134937912) has the molecular formula C34H45NO5Si and a molecular weight of 575.82 g/mol. Its IUPAC name is 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(diphenyl)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(diphenyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide
PubChem CID134937912
Molecular FormulaC34H45NO5Si
Molecular Weight575.82 g/mol
Exact Mass575.31
IUPAC Name2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(diphenyl)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](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C
InChIInChI=1S/C34H45NO5Si/c1-25(24-38-41(34(3,4)5,28-19-13-9-14-20-28)29-21-15-10-16-22-29)32-26(2)30(23-31(36)35(6)37-7)39-33(40-32)27-17-11-8-12-18-27/h8-22,25-26,30,32-33H,23-24H2,1-7H3/t25-,26-,30-,32+,33-/m1/s1
InChIKeyOTFDAXQVDRDLEW-NEHBKBHBSA-N
XLogP5.73
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500575.82
LogP ≤ 55.73
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(diphenyl)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(diphenyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide (CID 134937912) is 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(diphenyl)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(diphenyl)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(diphenyl)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](c2ccccc2)(c2ccccc2)C(C)(C)C)[C@@H]1C.
What is the InChIKey of 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(diphenyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide?
The InChIKey is OTFDAXQVDRDLEW-NEHBKBHBSA-N. The full InChI is InChI=1S/C34H45NO5Si/c1-25(24-38-41(34(3,4)5,28-19-13-9-14-20-28)29-21-15-10-16-22-29)32-26(2)30(23-31(36)35(6)37-7)39-33(40-32)27-17-11-8-12-18-27/h8-22,25-26,30,32-33H,23-24H2,1-7H3/t25-,26-,30-,32+,33-/m1/s1.
What are the key properties of 2-[(2R,4R,5R,6S)-6-[(2R)-1-[tert-butyl(diphenyl)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(diphenyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide has a molecular weight of 575.82 g/mol, XLogP of 5.73, 10 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(diphenyl)silyl]oxypropan-2-yl]-5-methyl-2-phenyl-1,3-dioxan-4-yl]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 134937912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).