(2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide

C16H23NOSi — CID 124636916

IUPAC(2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide
SMILESCCNC(=O)[C@@H](C)c1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C16H23NOSi/c1-6-17-16(18)13(2)15-9-7-14(8-10-15)11-12-19(3,4)5/h7-10,13H,6H2,1-5H3,(H,17,18)/t13-/m0/s1
InChIKeyZDHDALREBXAMGJ-ZDUSSCGKSA-N
MW273.45 g/mol
LogP3.16
Rot. Bonds3

About (2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide

(2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide (PubChem CID 124636916) has the molecular formula C16H23NOSi and a molecular weight of 273.45 g/mol. Its IUPAC name is (2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide
PubChem CID124636916
Molecular FormulaC16H23NOSi
Molecular Weight273.45 g/mol
Exact Mass273.15
IUPAC Name(2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide
SMILESCCNC(=O)[C@@H](C)c1ccc(C#C[Si](C)(C)C)cc1
InChIInChI=1S/C16H23NOSi/c1-6-17-16(18)13(2)15-9-7-14(8-10-15)11-12-19(3,4)5/h7-10,13H,6H2,1-5H3,(H,17,18)/t13-/m0/s1
InChIKeyZDHDALREBXAMGJ-ZDUSSCGKSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.45
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(2R)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide
CID 124636917
(2R)-N-ethyl-2-[4-(2-methylpropyl)phenyl]propanamide;molecular hydrogen
CID 166540473
ethane;(1S)-1-[4-(2-trimethylsilylethynyl)phenyl]propan-1-ol;zinc
CID 145453132
trimethyl-[2-[4-[2-[4-[2-[4-[2-tri(propan-2-yl)silylethynyl]phenyl]ethynyl]phenyl]ethynyl]phenyl]ethynyl]silane
CID 15312832
2-[4-(2-trimethylsilylethynyl)phenyl]acetic acid
CID 19957500
4-[2-[4-[2-[4-(2-trimethylsilylethynyl)phenyl]ethynyl]phenyl]ethynyl]phenol
CID 11843653
trimethyl-[2-[4-[2-(4-methylphenyl)ethynyl]phenyl]ethynyl]silane
CID 66777028
(2S)-2-acetamido-3-methoxy-N-[[4-(2-trimethylsilylethynyl)phenyl]methyl]propanamide
CID 45486472
S-[[4-(2-trimethylsilylethynyl)phenyl]methyl] ethanethioate
CID 10659177
2-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]-1-pyrimidin-5-ylpropan-1-one
CID 56847693
2-(4-dimethylsilylphenyl)ethynyl-trimethylsilane
CID 71381536
2-(diethylamino)-5-(2-trimethylsilylethynyl)cyclohepta-2,4,6-trien-1-one
CID 102327175

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide?
The IUPAC name of (2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide (CID 124636916) is (2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide.
What is the SMILES notation for (2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide?
The canonical SMILES for (2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide is CCNC(=O)[C@@H](C)c1ccc(C#C[Si](C)(C)C)cc1.
What is the InChIKey of (2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide?
The InChIKey is ZDHDALREBXAMGJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H23NOSi/c1-6-17-16(18)13(2)15-9-7-14(8-10-15)11-12-19(3,4)5/h7-10,13H,6H2,1-5H3,(H,17,18)/t13-/m0/s1.
What are the key properties of (2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide?
(2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide has a molecular weight of 273.45 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-2-[4-(2-trimethylsilylethynyl)phenyl]propanamide is sourced from PubChem (CID 124636916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).