(4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide

C31H51NO4Si2 — CID 11613771

IUPAC(4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide
SMILESCC[Si](CC)(CC)O[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CCC(=O)N(C)OC
InChIInChI=1S/C31H51NO4Si2/c1-10-37(11-2,12-3)36-29(26(4)23-24-30(33)32(8)34-9)25-35-38(31(5,6)7,27-19-15-13-16-20-27)28-21-17-14-18-22-28/h13-22,26,29H,10-12,23-25H2,1-9H3/t26-,29-/m0/s1
InChIKeyGRHLOUWQNGQFAA-WNJJXGMVSA-N
MW557.92 g/mol
LogP6.39
Rot. Bonds15

About (4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide

(4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide (PubChem CID 11613771) has the molecular formula C31H51NO4Si2 and a molecular weight of 557.92 g/mol. Its IUPAC name is (4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide.

Molecular Properties

Compound Name(4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide
PubChem CID11613771
Molecular FormulaC31H51NO4Si2
Molecular Weight557.92 g/mol
Exact Mass557.34
IUPAC Name(4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide
SMILESCC[Si](CC)(CC)O[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CCC(=O)N(C)OC
InChIInChI=1S/C31H51NO4Si2/c1-10-37(11-2,12-3)36-29(26(4)23-24-30(33)32(8)34-9)25-35-38(31(5,6)7,27-19-15-13-16-20-27)28-21-17-14-18-22-28/h13-22,26,29H,10-12,23-25H2,1-9H3/t26-,29-/m0/s1
InChIKeyGRHLOUWQNGQFAA-WNJJXGMVSA-N
XLogP6.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.92
LogP ≤ 56.39
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'}

Analyze (4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide with MolForge

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Related Compounds

7-(tert-Butyl-diphenyl-silanyloxy)-5-hydroxy-3-methyl-decanoic acid methoxy-methyl-amide
CID 46844244
7-(tert-Butyl-diphenyl-silanyloxy)-5-methoxy-3-methyl-decanoic acid methoxy-methyl-amide
CID 46844799
(3R,5S)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,3-dimethyl-5-triethylsilyloxy-3-trimethylsilyloxyhexanamide
CID 134958709
5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylpentanamide
CID 25269714
4-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylcyclohexane-1-carboxamide
CID 89407420
3-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 123599473
tert-butyl (S)-6-(tert-butyl-diphenyl-silanyloxy)-3-(methoxy-methyl-carbamoyl)-hexanoate
CID 131747775
2-[3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]-N-methoxy-N-methylacetamide
CID 140196486
(1S,5R)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbicyclo[3.1.0]hexane-6-carboxamide
CID 153288911
6-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methyloxane-3-carboxamide
CID 168155974
(3S)-6-[tert-butyl(diphenyl)silyl]oxy-3-[methoxy(methyl)carbamoyl]hexanoic acid
CID 173634425
6-[Tert-butyl(diphenyl)silyl]oxy-3-[methoxy(methyl)carbamoyl]hexanoic acid
CID 173634426

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide?
The IUPAC name of (4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide (CID 11613771) is (4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide.
What is the SMILES notation for (4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide?
The canonical SMILES for (4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide is CC[Si](CC)(CC)O[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)[C@@H](C)CCC(=O)N(C)OC.
What is the InChIKey of (4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide?
The InChIKey is GRHLOUWQNGQFAA-WNJJXGMVSA-N. The full InChI is InChI=1S/C31H51NO4Si2/c1-10-37(11-2,12-3)36-29(26(4)23-24-30(33)32(8)34-9)25-35-38(31(5,6)7,27-19-15-13-16-20-27)28-21-17-14-18-22-28/h13-22,26,29H,10-12,23-25H2,1-9H3/t26-,29-/m0/s1.
What are the key properties of (4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide?
(4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide has a molecular weight of 557.92 g/mol, XLogP of 6.39, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,4-dimethyl-5-triethylsilyloxyhexanamide is sourced from PubChem (CID 11613771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).