N-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide

C22H34N4O6Si2 — CID 68580245

IUPACN-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide
SMILESC[Si](C)(C)C(O)[C@H]1O[C@@H](n2cnc(NC(=O)COc3ccccc3)nc2=O)C[C@@]1(O)[Si](C)(C)C
InChIInChI=1S/C22H34N4O6Si2/c1-33(2,3)19(28)18-22(30,34(4,5)6)12-17(32-18)26-14-23-20(25-21(26)29)24-16(27)13-31-15-10-8-7-9-11-15/h7-11,14,17-19,28,30H,12-13H2,1-6H3,(H,24,25,27,29)/t17-,18-,19?,22-/m1/s1
InChIKeyNPOFAFBMLGMQFX-WOYMVRNGSA-N
MW506.71 g/mol
LogP1.79
Rot. Bonds8

About N-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide

N-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide (PubChem CID 68580245) has the molecular formula C22H34N4O6Si2 and a molecular weight of 506.71 g/mol. Its IUPAC name is N-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide
PubChem CID68580245
Molecular FormulaC22H34N4O6Si2
Molecular Weight506.71 g/mol
Exact Mass506.20
IUPAC NameN-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide
SMILESC[Si](C)(C)C(O)[C@H]1O[C@@H](n2cnc(NC(=O)COc3ccccc3)nc2=O)C[C@@]1(O)[Si](C)(C)C
InChIInChI=1S/C22H34N4O6Si2/c1-33(2,3)19(28)18-22(30,34(4,5)6)12-17(32-18)26-14-23-20(25-21(26)29)24-16(27)13-31-15-10-8-7-9-11-15/h7-11,14,17-19,28,30H,12-13H2,1-6H3,(H,24,25,27,29)/t17-,18-,19?,22-/m1/s1
InChIKeyNPOFAFBMLGMQFX-WOYMVRNGSA-N
XLogP1.79
TPSA135.80 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.71
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-[5-[(2R,4R,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-[[di(propan-2-yl)amino]-propoxyphosphanyl]oxyoxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide
CID 71212784
2-phenoxy-N-[4-[(1,3,5-trimethylpyrazol-4-yl)methyl]phenyl]acetamide
CID 959425
N'-(2-phenoxyacetyl)spiro[2.3]hexane-2-carbohydrazide
CID 2834275
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
CID 60594497
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
N-[1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-[(2-phenoxyacetyl)amino]pyrazolo[3,4-d]pyrimidin-4-yl]-2-phenoxyacetamide
CID 90764560
[(3R,5R)-5-[2-[[2-(4-butylphenoxy)acetyl]amino]-6-oxo-1H-purin-9-yl]-2-(hydroxymethyl)oxolan-3-yl] 2-phenoxyacetate
CID 174006300
N-(2-cyclobutyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-2-phenoxyacetamide
CID 53190515
N-(5-ethoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-phenoxyacetamide
CID 110455629
N-[9-(3-methoxy-5-propyloxolan-2-yl)purin-6-yl]-2-phenoxyacetamide
CID 91438087
4-amino-1-[5-[[methylamino(phenoxy)phosphanyl]oxymethyl]oxolan-2-yl]-1,3,5-triazin-2-one
CID 145155260
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[2-oxo-4-[(2-phenoxyacetyl)amino]pyrimidin-1-yl]oxolan-2-yl]methyl dihydrogen phosphate
CID 158464255

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide?
The IUPAC name of N-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide (CID 68580245) is N-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide is C[Si](C)(C)C(O)[C@H]1O[C@@H](n2cnc(NC(=O)COc3ccccc3)nc2=O)C[C@@]1(O)[Si](C)(C)C.
What is the InChIKey of N-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide?
The InChIKey is NPOFAFBMLGMQFX-WOYMVRNGSA-N. The full InChI is InChI=1S/C22H34N4O6Si2/c1-33(2,3)19(28)18-22(30,34(4,5)6)12-17(32-18)26-14-23-20(25-21(26)29)24-16(27)13-31-15-10-8-7-9-11-15/h7-11,14,17-19,28,30H,12-13H2,1-6H3,(H,24,25,27,29)/t17-,18-,19?,22-/m1/s1.
What are the key properties of N-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide?
N-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide has a molecular weight of 506.71 g/mol, XLogP of 1.79, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2R,4R,5R)-4-hydroxy-5-[hydroxy(trimethylsilyl)methyl]-4-trimethylsilyloxolan-2-yl]-4-oxo-1,3,5-triazin-2-yl]-2-phenoxyacetamide is sourced from PubChem (CID 68580245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).