3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide

C15H31NO4Si — CID 18678788

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide
SMILESCON(C)C(=O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C15H31NO4Si/c1-11(10-17)13(12(2)14(18)16(6)19-7)20-21(8,9)15(3,4)5/h10-13H,1-9H3
InChIKeyWIXDINQBKDGXJY-UHFFFAOYSA-N
MW317.50 g/mol
LogP2.87
Rot. Bonds7

About 3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide

3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide (PubChem CID 18678788) has the molecular formula C15H31NO4Si and a molecular weight of 317.50 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide
PubChem CID18678788
Molecular FormulaC15H31NO4Si
Molecular Weight317.50 g/mol
Exact Mass317.20
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide
SMILESCON(C)C(=O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C=O
InChIInChI=1S/C15H31NO4Si/c1-11(10-17)13(12(2)14(18)16(6)19-7)20-21(8,9)15(3,4)5/h10-13H,1-9H3
InChIKeyWIXDINQBKDGXJY-UHFFFAOYSA-N
XLogP2.87
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.50
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide
CID 11281464
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N,3,3-trimethylbutanamide
CID 11109525
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide
CID 58077726
(3R,4S,5R,7S,8S,9R)-4,8-bis[[tert-butyl(dimethyl)silyl]oxy]-3,5,7,9-tetramethylundeca-1,10-dien-6-one
CID 11648709
(6S,7Z)-3-[tert-butyl(dimethyl)silyl]oxy-N-[(2S,3R,4R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-5-oxopentyl]-5-hydroxy-N,2,4,6-tetramethyldeca-7,9-dienamide
CID 58762158
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
(2S,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3,6-bis[(4-methoxyphenyl)methoxy]-N,2,4-trimethylhexanamide
CID 101199274
(2S,3S,4S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethyl-3-trimethylsilyloxyoctanal
CID 11811175
(2S,3S,4S)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethyl-7-trimethylsilylhept-6-ynal
CID 11067797
(2S,3R,6S,8S,9R,10S)-3-[tert-butyl(dimethyl)silyl]oxy-9-hydroxy-N-methoxy-N,2,6,8,10-pentamethyldodec-11-ynamide
CID 66572021
[(2S,3S,4R,5R,6S,8Z,10S,11S,12S,13E)-5,11,19-tris[[tert-butyl(dimethyl)silyl]oxy]-15,17-dihydroxy-21-[methoxy(methyl)amino]-2,4,6,8,10,12,18,20-octamethyl-21-oxo-1-phenylmethoxyhenicosa-8,13-dien-3-yl] carbamate
CID 87924189
methyl (E,4S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylhept-2-enoate
CID 14379848

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide (CID 18678788) is 3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide is CON(C)C(=O)C(C)C(O[Si](C)(C)C(C)(C)C)C(C)C=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide?
The InChIKey is WIXDINQBKDGXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4Si/c1-11(10-17)13(12(2)14(18)16(6)19-7)20-21(8,9)15(3,4)5/h10-13H,1-9H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide?
3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide has a molecular weight of 317.50 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide is sourced from PubChem (CID 18678788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).