(2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide

C28H45NO4Si2 — CID 42604024

IUPAC(2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide
SMILESCON(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H45NO4Si2/c1-22(26(33-34(8,9)10)23(2)27(30)29(6)31-7)21-32-35(28(3,4)5,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h11-20,22-23,26H,21H2,1-10H3/t22-,23+,26-/m0/s1
InChIKeyNUQIGFSDXNSQPR-ZEVJAHDQSA-N
MW515.84 g/mol
LogP5.08
Rot. Bonds11

About (2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide

(2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide (PubChem CID 42604024) has the molecular formula C28H45NO4Si2 and a molecular weight of 515.84 g/mol. Its IUPAC name is (2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide.

Molecular Properties

Compound Name(2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide
PubChem CID42604024
Molecular FormulaC28H45NO4Si2
Molecular Weight515.84 g/mol
Exact Mass515.29
IUPAC Name(2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide
SMILESCON(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C28H45NO4Si2/c1-22(26(33-34(8,9)10)23(2)27(30)29(6)31-7)21-32-35(28(3,4)5,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h11-20,22-23,26H,21H2,1-10H3/t22-,23+,26-/m0/s1
InChIKeyNUQIGFSDXNSQPR-ZEVJAHDQSA-N
XLogP5.08
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.84
LogP ≤ 55.08
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'}

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Related Compounds

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
2-[3-[tert-butyl(diphenyl)silyl]oxycyclobutyl]-N-methoxy-N-methylacetamide
CID 140196486
6-[[tert-butyl(diphenyl)silyl]oxymethyl]-N-methoxy-N-methyloxane-3-carboxamide
CID 168155974
(3S)-3-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methylbutanamide
CID 176411002
(3R,4S,5R)-6-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N-methyl-3,4,5-tris(trimethylsilyloxy)hexanamide
CID 10532549
(2R,3R,4R,5R,6R)-7-[tert-butyl(diphenyl)silyl]oxy-3,5-dihydroxy-N-methoxy-N,2,4,6-tetramethylheptanamide
CID 10896388
(2R,3R)-N-methoxy-N,2,4-trimethyl-3-[methyl(diphenyl)silyl]oxypent-4-enamide
CID 10905089
Ethyl 2-[[tert-butyl(diphenyl)silyl]oxy-methylcarbamoyl]hex-5-enoate
CID 11144877
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-N,4-dimethoxy-N,2-dimethylpentanamide
CID 11236116

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide?
The IUPAC name of (2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide (CID 42604024) is (2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide.
What is the SMILES notation for (2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide?
The canonical SMILES for (2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide is CON(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C)[C@@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide?
The InChIKey is NUQIGFSDXNSQPR-ZEVJAHDQSA-N. The full InChI is InChI=1S/C28H45NO4Si2/c1-22(26(33-34(8,9)10)23(2)27(30)29(6)31-7)21-32-35(28(3,4)5,24-17-13-11-14-18-24)25-19-15-12-16-20-25/h11-20,22-23,26H,21H2,1-10H3/t22-,23+,26-/m0/s1.
What are the key properties of (2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide?
(2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide has a molecular weight of 515.84 g/mol, XLogP of 5.08, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-5-[tert-butyl(diphenyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-3-trimethylsilyloxypentanamide is sourced from PubChem (CID 42604024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).