N-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide

C18H29NO2Si — CID 134872269

IUPACN-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide
SMILESC[Si](C)(C)[C@@H](NC(=O)C1CCCCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C18H29NO2Si/c1-22(2,3)18(16(20)14-10-6-4-7-11-14)19-17(21)15-12-8-5-9-13-15/h4,6-7,10-11,15-16,18,20H,5,8-9,12-13H2,1-3H3,(H,19,21)/t16-,18-/m1/s1
InChIKeyQKHPSJOKADJXAN-SJLPKXTDSA-N
MW319.52 g/mol
LogP3.66
Rot. Bonds5

About N-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide

N-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide (PubChem CID 134872269) has the molecular formula C18H29NO2Si and a molecular weight of 319.52 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide
PubChem CID134872269
Molecular FormulaC18H29NO2Si
Molecular Weight319.52 g/mol
Exact Mass319.20
IUPAC NameN-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide
SMILESC[Si](C)(C)[C@@H](NC(=O)C1CCCCC1)[C@H](O)c1ccccc1
InChIInChI=1S/C18H29NO2Si/c1-22(2,3)18(16(20)14-10-6-4-7-11-14)19-17(21)15-12-8-5-9-13-15/h4,6-7,10-11,15-16,18,20H,5,8-9,12-13H2,1-3H3,(H,19,21)/t16-,18-/m1/s1
InChIKeyQKHPSJOKADJXAN-SJLPKXTDSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.52
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
CID 10045162
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
CID 11143662
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504
(2S)-N-[(2S)-1-[butyl(methyl)amino]-3-cyclohexyl-1-oxopropan-2-yl]-2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]-4-methylpentanamide
CID 9805486
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]dodecanamide
CID 11046702
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
2-hydroxy-N-methyl-2-phenylacetamide
CID 572063
1-Cyclohexyl-3-(((1S,2R)-2-hydroxy-1-methyl-2-phenylethyl)amino)-1-propanone
CID 51719
Secodemethylclausenamide
CID 70378439
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide
CID 11080284

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide (CID 134872269) is N-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide is C[Si](C)(C)[C@@H](NC(=O)C1CCCCC1)[C@H](O)c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide?
The InChIKey is QKHPSJOKADJXAN-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H29NO2Si/c1-22(2,3)18(16(20)14-10-6-4-7-11-14)19-17(21)15-12-8-5-9-13-15/h4,6-7,10-11,15-16,18,20H,5,8-9,12-13H2,1-3H3,(H,19,21)/t16-,18-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide?
N-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide has a molecular weight of 319.52 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-2-phenyl-1-trimethylsilylethyl]cyclohexanecarboxamide is sourced from PubChem (CID 134872269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).