N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide

C14H21NOSi — CID 169465674

IUPACN-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc([Si](C)(C)C)c1
InChIInChI=1S/C14H21NOSi/c1-12(16)15-10-6-8-13-7-5-9-14(11-13)17(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16)
InChIKeyFLKMRMUQBCELHE-UHFFFAOYSA-N
MW247.41 g/mol
LogP2.38
Rot. Bonds4

About N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide

N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide (PubChem CID 169465674) has the molecular formula C14H21NOSi and a molecular weight of 247.41 g/mol. Its IUPAC name is N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
PubChem CID169465674
Molecular FormulaC14H21NOSi
Molecular Weight247.41 g/mol
Exact Mass247.14
IUPAC NameN-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc([Si](C)(C)C)c1
InChIInChI=1S/C14H21NOSi/c1-12(16)15-10-6-8-13-7-5-9-14(11-13)17(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16)
InChIKeyFLKMRMUQBCELHE-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[3-(hydroxymethyl)phenyl]prop-2-enyl]acetamide
CID 169465046
N-[3-[3-(aminomethyl)phenyl]prop-2-enyl]acetamide
CID 169465154
N-[3-[3-(dimethylamino)phenyl]prop-2-enyl]acetamide
CID 169465474
N-[3-(3-methylsulfonylphenyl)prop-2-enyl]acetamide
CID 169465681
N-[3-[3-(2-hydroxyethyl)phenyl]prop-2-enyl]acetamide
CID 169465370
N-[3-[3-(carbamoylamino)phenyl]prop-2-enyl]acetamide
CID 169465819
N-methyl-4-(3-trimethylsilylphenyl)but-3-en-1-amine
CID 170495970
N-[3-(3-isothiocyanatophenyl)prop-2-enyl]acetamide
CID 169465438
N-[3-(3,4-dimethylphenyl)prop-2-enyl]acetamide
CID 169464973
benzyl N-[4-(3-trimethylsilylphenyl)but-3-enyl]carbamate
CID 170494266
N-[3-(2-fluoro-4-pyridinyl)prop-2-enyl]acetamide
CID 169464909
tert-butyl N-[3-(3-acetamidoprop-1-enyl)phenyl]carbamate
CID 169466624

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide (CID 169465674) is N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cccc([Si](C)(C)C)c1.
What is the InChIKey of N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide?
The InChIKey is FLKMRMUQBCELHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NOSi/c1-12(16)15-10-6-8-13-7-5-9-14(11-13)17(2,3)4/h5-9,11H,10H2,1-4H3,(H,15,16).
What are the key properties of N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide?
N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide has a molecular weight of 247.41 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-trimethylsilylphenyl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).