N-phenyl-3-trimethylsilyloxybut-2-enamide

C13H19NO2Si — CID 169452273

IUPACN-phenyl-3-trimethylsilyloxybut-2-enamide
SMILESCC(=CC(=O)Nc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C13H19NO2Si/c1-11(16-17(2,3)4)10-13(15)14-12-8-6-5-7-9-12/h5-10H,1-4H3,(H,14,15)
InChIKeyJQRPFXQPAALQGG-UHFFFAOYSA-N
MW249.39 g/mol
LogP3.38
Rot. Bonds4

About N-phenyl-3-trimethylsilyloxybut-2-enamide

N-phenyl-3-trimethylsilyloxybut-2-enamide (PubChem CID 169452273) has the molecular formula C13H19NO2Si and a molecular weight of 249.39 g/mol. Its IUPAC name is N-phenyl-3-trimethylsilyloxybut-2-enamide.

Molecular Properties

Compound NameN-phenyl-3-trimethylsilyloxybut-2-enamide
PubChem CID169452273
Molecular FormulaC13H19NO2Si
Molecular Weight249.39 g/mol
Exact Mass249.12
IUPAC NameN-phenyl-3-trimethylsilyloxybut-2-enamide
SMILESCC(=CC(=O)Nc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C13H19NO2Si/c1-11(16-17(2,3)4)10-13(15)14-12-8-6-5-7-9-12/h5-10H,1-4H3,(H,14,15)
InChIKeyJQRPFXQPAALQGG-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-anilino-2-methyl-4-oxobut-2-enethioic S-acid
CID 88841079
(E)-3-anilinobut-2-enoic acid
CID 89350388
N-(3-acetamidophenyl)-3-methoxybut-2-enamide
CID 54455732
(Z)-3-(methylamino)-N,3-diphenylprop-2-enamide
CID 25157764
N-phenyl-3,3-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)prop-2-enamide
CID 122230898
(Z)-4-anilino-4-oxobut-2-enoic acid;lanthanum
CID 175590215
(Z)-N-phenylbut-2-enamide
CID 59909226
cobalt;N-phenylacetamide
CID 158689050
N-(3-bromophenyl)-3-methoxybut-2-enamide
CID 54535073
acetohydrazide;N-phenylacetamide;hydrate
CID 174786539
methyl (Z)-2-hydroxy-4-[4-[[(E)-3-hydroxy-4-methoxy-4-oxobut-2-enoyl]amino]anilino]-4-oxobut-2-enoate
CID 134489839
N-[(Z)-4-methyliminopent-2-en-2-yl]aniline
CID 23579015

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-trimethylsilyloxybut-2-enamide?
The IUPAC name of N-phenyl-3-trimethylsilyloxybut-2-enamide (CID 169452273) is N-phenyl-3-trimethylsilyloxybut-2-enamide.
What is the SMILES notation for N-phenyl-3-trimethylsilyloxybut-2-enamide?
The canonical SMILES for N-phenyl-3-trimethylsilyloxybut-2-enamide is CC(=CC(=O)Nc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of N-phenyl-3-trimethylsilyloxybut-2-enamide?
The InChIKey is JQRPFXQPAALQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2Si/c1-11(16-17(2,3)4)10-13(15)14-12-8-6-5-7-9-12/h5-10H,1-4H3,(H,14,15).
What are the key properties of N-phenyl-3-trimethylsilyloxybut-2-enamide?
N-phenyl-3-trimethylsilyloxybut-2-enamide has a molecular weight of 249.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-trimethylsilyloxybut-2-enamide is sourced from PubChem (CID 169452273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).