N,2-dicyclohexyl-2-triphenylsilyloxyacetamide

C32H39NO2Si — CID 102046475

IUPACN,2-dicyclohexyl-2-triphenylsilyloxyacetamide
SMILESO=C(NC1CCCCC1)C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C32H39NO2Si/c34-32(33-27-18-8-2-9-19-27)31(26-16-6-1-7-17-26)35-36(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h3-5,10-15,20-27,31H,1-2,6-9,16-19H2,(H,33,34)
InChIKeyIGNWVSKWBHWYPA-UHFFFAOYSA-N
MW497.76 g/mol
LogP5.07
Rot. Bonds8

About N,2-dicyclohexyl-2-triphenylsilyloxyacetamide

N,2-dicyclohexyl-2-triphenylsilyloxyacetamide (PubChem CID 102046475) has the molecular formula C32H39NO2Si and a molecular weight of 497.76 g/mol. Its IUPAC name is N,2-dicyclohexyl-2-triphenylsilyloxyacetamide.

Molecular Properties

Compound NameN,2-dicyclohexyl-2-triphenylsilyloxyacetamide
PubChem CID102046475
Molecular FormulaC32H39NO2Si
Molecular Weight497.76 g/mol
Exact Mass497.28
IUPAC NameN,2-dicyclohexyl-2-triphenylsilyloxyacetamide
SMILESO=C(NC1CCCCC1)C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1
InChIInChI=1S/C32H39NO2Si/c34-32(33-27-18-8-2-9-19-27)31(26-16-6-1-7-17-26)35-36(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h3-5,10-15,20-27,31H,1-2,6-9,16-19H2,(H,33,34)
InChIKeyIGNWVSKWBHWYPA-UHFFFAOYSA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.76
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5R,6S)-6-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-propylpiperidin-2-one
CID 11589615
N-cyclohexyl-4-phenyl-2-triphenylsilyloxybutanamide
CID 102046470
(E)-N-cyclohexyl-4-phenyl-2-triphenylsilyloxybut-3-enamide
CID 102046477
N-cyclohexyl-2-phenyl-2-triphenylsilyloxyacetamide
CID 102046478
4-phenyl-N-(2,4,4-trimethylhexan-2-yl)-2-triphenylsilyloxybutanamide
CID 135004659
N-[1-phenyl-3-tri(propan-2-yl)silyloxypropan-2-yl]cyclohexanecarboxamide
CID 138970075
N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-4-phenylbutanamide
CID 12968559
N-butyl-2-[tert-butyl(dimethyl)silyl]oxy-3,3-diphenylpropanamide
CID 12968561
N-[(Z)-12-[tert-butyl(diphenyl)silyl]oxydodec-5-enyl]-N-propan-2-ylheptanamide;(Z)-12-[tert-butyl(diphenyl)silyl]oxy-N-propan-2-yldodec-5-en-1-amine
CID 161282716
N-[(2S)-4-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]butan-2-yl]acetamide
CID 173649654
(5R,6S)-5-butyl-6-[[tert-butyl(diphenyl)silyl]oxymethyl]piperidin-2-one
CID 12177403
2-[tert-butyl(diphenyl)silyl]oxy-N-[(E)-1,3-dihydroxy-9-methyloctadec-4-en-2-yl]hexadecanamide
CID 20747856

Frequently Asked Questions

What is the IUPAC name of N,2-dicyclohexyl-2-triphenylsilyloxyacetamide?
The IUPAC name of N,2-dicyclohexyl-2-triphenylsilyloxyacetamide (CID 102046475) is N,2-dicyclohexyl-2-triphenylsilyloxyacetamide.
What is the SMILES notation for N,2-dicyclohexyl-2-triphenylsilyloxyacetamide?
The canonical SMILES for N,2-dicyclohexyl-2-triphenylsilyloxyacetamide is O=C(NC1CCCCC1)C(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)C1CCCCC1.
What is the InChIKey of N,2-dicyclohexyl-2-triphenylsilyloxyacetamide?
The InChIKey is IGNWVSKWBHWYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39NO2Si/c34-32(33-27-18-8-2-9-19-27)31(26-16-6-1-7-17-26)35-36(28-20-10-3-11-21-28,29-22-12-4-13-23-29)30-24-14-5-15-25-30/h3-5,10-15,20-27,31H,1-2,6-9,16-19H2,(H,33,34).
What are the key properties of N,2-dicyclohexyl-2-triphenylsilyloxyacetamide?
N,2-dicyclohexyl-2-triphenylsilyloxyacetamide has a molecular weight of 497.76 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dicyclohexyl-2-triphenylsilyloxyacetamide is sourced from PubChem (CID 102046475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).