N-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide

C15H21NO2Si — CID 72974559

IUPACN-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide
SMILESC[Si](C)(C)C#CC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C15H21NO2Si/c1-19(2,3)10-9-15(18)16-14(12-17)11-13-7-5-4-6-8-13/h4-8,14,17H,11-12H2,1-3H3,(H,16,18)
InChIKeyOBCOHAMMGGZWBA-UHFFFAOYSA-N
MW275.42 g/mol
LogP1.59
Rot. Bonds4

About N-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide

N-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide (PubChem CID 72974559) has the molecular formula C15H21NO2Si and a molecular weight of 275.42 g/mol. Its IUPAC name is N-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide
PubChem CID72974559
Molecular FormulaC15H21NO2Si
Molecular Weight275.42 g/mol
Exact Mass275.13
IUPAC NameN-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide
SMILESC[Si](C)(C)C#CC(=O)NC(CO)Cc1ccccc1
InChIInChI=1S/C15H21NO2Si/c1-19(2,3)10-9-15(18)16-14(12-17)11-13-7-5-4-6-8-13/h4-8,14,17H,11-12H2,1-3H3,(H,16,18)
InChIKeyOBCOHAMMGGZWBA-UHFFFAOYSA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Propenamide, N-(1-(hydroxymethyl)-2-phenylethyl)-3-phenyl-, (E)-(+-)-
CID 6040514
N-(2-hydroxy-1-phenylethyl)acetamide
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L-alanyl-N-[(1S,2R)-1-benzyl-2-hydroxypropyl]-L-alaninamide
CID 46937118
Carbamic acid, (1-(hydroxymethyl)-2-phenylethyl)-, ethyl ester
CID 209004
2-chloro-N-((2S)-1-hydroxy-3-phenylpropan-2-yl)acetamide
CID 10728024
N-[(2S,3S)-4,4,4-trifluoro-3-hydroxy-1-phenylbutan-2-yl]acetamide
CID 23586202
2,4-Diacetylamino-1,5-diphenyl-3-pentanol
CID 452446
N-(2-hydroxy-3-phenylpropyl)acetamide
CID 15094684
(E)-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-phenylprop-2-enamide
CID 20835414
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]propanamide
CID 42364047
(S)-N-(1-Hydroxy-3-phenylpropan-2-yl)acetamide
CID 11492087
N-(4-acetamido-3-hydroxy-1,5-diphenylpentan-2-yl)acetamide
CID 14704382

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide?
The IUPAC name of N-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide (CID 72974559) is N-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide.
What is the SMILES notation for N-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide?
The canonical SMILES for N-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide is C[Si](C)(C)C#CC(=O)NC(CO)Cc1ccccc1.
What is the InChIKey of N-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide?
The InChIKey is OBCOHAMMGGZWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2Si/c1-19(2,3)10-9-15(18)16-14(12-17)11-13-7-5-4-6-8-13/h4-8,14,17H,11-12H2,1-3H3,(H,16,18).
What are the key properties of N-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide?
N-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide has a molecular weight of 275.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-phenylpropan-2-yl)-3-trimethylsilylprop-2-ynamide is sourced from PubChem (CID 72974559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).