(5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide

C24H35NO3Si — CID 12000393

IUPAC(5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide
SMILESCON(C)C(=O)CCC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35NO3Si/c1-20(14-13-19-23(26)25(5)27-6)28-29(24(2,3)4,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-12,15-18,20H,13-14,19H2,1-6H3/t20-/m0/s1
InChIKeyJGBDSPIUFMUJHY-FQEVSTJZSA-N
MW413.63 g/mol
LogP4.14
Rot. Bonds9

About (5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide

(5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide (PubChem CID 12000393) has the molecular formula C24H35NO3Si and a molecular weight of 413.63 g/mol. Its IUPAC name is (5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide.

Molecular Properties

Compound Name(5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide
PubChem CID12000393
Molecular FormulaC24H35NO3Si
Molecular Weight413.63 g/mol
Exact Mass413.24
IUPAC Name(5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide
SMILESCON(C)C(=O)CCC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H35NO3Si/c1-20(14-13-19-23(26)25(5)27-6)28-29(24(2,3)4,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-12,15-18,20H,13-14,19H2,1-6H3/t20-/m0/s1
InChIKeyJGBDSPIUFMUJHY-FQEVSTJZSA-N
XLogP4.14
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.63
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide?
The IUPAC name of (5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide (CID 12000393) is (5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide.
What is the SMILES notation for (5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide?
The canonical SMILES for (5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide is CON(C)C(=O)CCC[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide?
The InChIKey is JGBDSPIUFMUJHY-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H35NO3Si/c1-20(14-13-19-23(26)25(5)27-6)28-29(24(2,3)4,21-15-9-7-10-16-21)22-17-11-8-12-18-22/h7-12,15-18,20H,13-14,19H2,1-6H3/t20-/m0/s1.
What are the key properties of (5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide?
(5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide has a molecular weight of 413.63 g/mol, XLogP of 4.14, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylhexanamide is sourced from PubChem (CID 12000393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).