(2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide

C21H41NO5Si — CID 11281464

IUPAC(2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide
SMILESCON(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C[C@H](O)C=C(C)C
InChIInChI=1S/C21H41NO5Si/c1-14(2)12-17(23)13-18(24)15(3)19(16(4)20(25)22(8)26-9)27-28(10,11)21(5,6)7/h12,15-17,19,23H,13H2,1-11H3/t15-,16+,17+,19-/m0/s1
InChIKeyCKOJFVAMIGCKCH-FAJBIJEISA-N
MW415.65 g/mol
LogP3.96
Rot. Bonds10

About (2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide

(2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide (PubChem CID 11281464) has the molecular formula C21H41NO5Si and a molecular weight of 415.65 g/mol. Its IUPAC name is (2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide.

Molecular Properties

Compound Name(2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide
PubChem CID11281464
Molecular FormulaC21H41NO5Si
Molecular Weight415.65 g/mol
Exact Mass415.28
IUPAC Name(2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide
SMILESCON(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C[C@H](O)C=C(C)C
InChIInChI=1S/C21H41NO5Si/c1-14(2)12-17(23)13-18(24)15(3)19(16(4)20(25)22(8)26-9)27-28(10,11)21(5,6)7/h12,15-17,19,23H,13H2,1-11H3/t15-,16+,17+,19-/m0/s1
InChIKeyCKOJFVAMIGCKCH-FAJBIJEISA-N
XLogP3.96
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.65
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

3-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2,4-trimethyl-5-oxopentanamide
CID 18678788
(2S,3S,4R,5S)-5-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-3,6-bis[(4-methoxyphenyl)methoxy]-N,2,4-trimethylhexanamide
CID 101199274
(2R)-2-[tert-butyl(dimethyl)silyl]oxy-4-hydroxy-N-methoxy-N,3,3-trimethylbutanamide
CID 11109525
(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
(4R)-4-[tert-butyl(dimethyl)silyl]oxy-N-methoxy-N,2-dimethyl-7-oxoheptanamide
CID 58077726
3-hydroxy-N-methoxy-N,2-dimethylpentanamide
CID 85166766
tert-butyl N-[3-[tert-butyl(dimethyl)silyl]oxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-N-methylcarbamate
CID 59656752
(3R,4R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-6-en-2-one
CID 134970294
(2R,3S)-N,3-dimethoxy-N,2-dimethylpentanamide
CID 71492099
(E,2S,7R)-2-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-4,8-dimethylnon-3-en-5-one
CID 102009679
tert-butyl-dimethyl-[(3S,4R)-2-methyl-4-(2-methylprop-1-enyl)octan-3-yl]oxysilane
CID 11045214

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide?
The IUPAC name of (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) is (2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide.
What is the SMILES notation for (2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide?
The canonical SMILES for (2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide is CON(C)C(=O)[C@H](C)[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H](C)C(=O)C[C@H](O)C=C(C)C.
What is the InChIKey of (2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide?
The InChIKey is CKOJFVAMIGCKCH-FAJBIJEISA-N. The full InChI is InChI=1S/C21H41NO5Si/c1-14(2)12-17(23)13-18(24)15(3)19(16(4)20(25)22(8)26-9)27-28(10,11)21(5,6)7/h12,15-17,19,23H,13H2,1-11H3/t15-,16+,17+,19-/m0/s1.
What are the key properties of (2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide?
(2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide has a molecular weight of 415.65 g/mol, XLogP of 3.96, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,7S)-3-[tert-butyl(dimethyl)silyl]oxy-7-hydroxy-N-methoxy-N,2,4,9-tetramethyl-5-oxodec-8-enamide is sourced from PubChem (CID 11281464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).