[(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate

C16H23NO3Si — CID 101221460

IUPAC[(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate
SMILESCC(/C=C/[Si](C)(C)C)OC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H23NO3Si/c1-13(10-11-21(2,3)4)20-15(18)12-17-16(19)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,17,19)/b11-10+
InChIKeyZVLSQRSVDXDICM-ZHACJKMWSA-N
MW305.45 g/mol
LogP2.78
Rot. Bonds6

About [(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate

[(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate (PubChem CID 101221460) has the molecular formula C16H23NO3Si and a molecular weight of 305.45 g/mol. Its IUPAC name is [(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate.

Molecular Properties

Compound Name[(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate
PubChem CID101221460
Molecular FormulaC16H23NO3Si
Molecular Weight305.45 g/mol
Exact Mass305.14
IUPAC Name[(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate
SMILESCC(/C=C/[Si](C)(C)C)OC(=O)CNC(=O)c1ccccc1
InChIInChI=1S/C16H23NO3Si/c1-13(10-11-21(2,3)4)20-15(18)12-17-16(19)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,17,19)/b11-10+
InChIKeyZVLSQRSVDXDICM-ZHACJKMWSA-N
XLogP2.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783210
[(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 2625448
[(2R)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7889617
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833356
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783196
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate
CID 9412822
[2-(dimethylamino)-2-oxo-1-phenylethyl] 2-benzamidoacetate
CID 46824068
[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl] 2-benzamidoacetate
CID 7783257
[(1S)-1-phenylethyl] 2-[(3,4-dichlorobenzoyl)amino]acetate
CID 7880684
benzhydryl 2-[(4-tert-butylbenzoyl)amino]acetate
CID 3681264
[2-(3-methylbutylamino)-2-oxoethyl] 2-benzamidoacetate
CID 7783115
[(1R)-1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl] 2-benzamidoacetate
CID 7696157

Frequently Asked Questions

What is the IUPAC name of [(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate?
The IUPAC name of [(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate (CID 101221460) is [(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate.
What is the SMILES notation for [(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate?
The canonical SMILES for [(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate is CC(/C=C/[Si](C)(C)C)OC(=O)CNC(=O)c1ccccc1.
What is the InChIKey of [(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate?
The InChIKey is ZVLSQRSVDXDICM-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H23NO3Si/c1-13(10-11-21(2,3)4)20-15(18)12-17-16(19)14-8-6-5-7-9-14/h5-11,13H,12H2,1-4H3,(H,17,19)/b11-10+.
What are the key properties of [(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate?
[(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate has a molecular weight of 305.45 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-trimethylsilylbut-3-en-2-yl] 2-benzamidoacetate is sourced from PubChem (CID 101221460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).