N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide

C17H25NO2Si — CID 15447302

IUPACN-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide
SMILESC[Si](C)(C)C#CCCC(=O)NCCOCc1ccccc1
InChIInChI=1S/C17H25NO2Si/c1-21(2,3)14-8-7-11-17(19)18-12-13-20-15-16-9-5-4-6-10-16/h4-6,9-10H,7,11-13,15H2,1-3H3,(H,18,19)
InChIKeyHRYKQDJYNFSUPL-UHFFFAOYSA-N
MW303.48 g/mol
LogP2.98
Rot. Bonds7

About N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide

N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide (PubChem CID 15447302) has the molecular formula C17H25NO2Si and a molecular weight of 303.48 g/mol. Its IUPAC name is N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide.

Molecular Properties

Compound NameN-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide
PubChem CID15447302
Molecular FormulaC17H25NO2Si
Molecular Weight303.48 g/mol
Exact Mass303.17
IUPAC NameN-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide
SMILESC[Si](C)(C)C#CCCC(=O)NCCOCc1ccccc1
InChIInChI=1S/C17H25NO2Si/c1-21(2,3)14-8-7-11-17(19)18-12-13-20-15-16-9-5-4-6-10-16/h4-6,9-10H,7,11-13,15H2,1-3H3,(H,18,19)
InChIKeyHRYKQDJYNFSUPL-UHFFFAOYSA-N
XLogP2.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.48
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[2-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]carbamate
CID 401740
N-[2-(benzyloxy)ethyl]-1-(methoxymethyl)cyclobutanecarboxamide
CID 74250053
N-[2-[(3-fluorophenyl)methoxy]butyl]propanamide
CID 122551342
2-[(4-fluorophenyl)methoxy]-N-[(E)-oct-6-enyl]acetamide
CID 143299293
N-(4-fluorobutyl)-2-phenylmethoxyacetamide
CID 145404673
N-dodecyl-2-phenylmethoxyacetamide
CID 249804
2-(Phenylmethoxymethyl)-1,2,5,6-tetrahydroazepin-7-one
CID 73191980
2-phenylmethoxy-N-prop-2-ynylacetamide
CID 121011063
(2S)-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-hydroxy-2-phenylmethoxybutanamide
CID 132918944
benzyl (2S)-3,3-dimethyl-2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-triethylsilylpent-4-ynoyl]amino]propanoyl]amino]butanoate
CID 134836509
N-[(2R)-3,6-dimethyl-1-phenylmethoxyhepta-3,4-dien-2-yl]acetamide
CID 134884631
N-[(3R)-1-[dimethyl(phenyl)silyl]-7-phenylmethoxyhept-1-yn-3-yl]-2,2-dimethylpropanamide
CID 134938687

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide?
The IUPAC name of N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide (CID 15447302) is N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide.
What is the SMILES notation for N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide?
The canonical SMILES for N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide is C[Si](C)(C)C#CCCC(=O)NCCOCc1ccccc1.
What is the InChIKey of N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide?
The InChIKey is HRYKQDJYNFSUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2Si/c1-21(2,3)14-8-7-11-17(19)18-12-13-20-15-16-9-5-4-6-10-16/h4-6,9-10H,7,11-13,15H2,1-3H3,(H,18,19).
What are the key properties of N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide?
N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide has a molecular weight of 303.48 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylmethoxyethyl)-5-trimethylsilylpent-4-ynamide is sourced from PubChem (CID 15447302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).