N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide

C17H25NO3Si — CID 11324648

IUPACN-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C17H25NO3Si/c1-17(2,3)22(4,5)21-13-9-12-15(19)18-16(20)14-10-7-6-8-11-14/h6-12H,13H2,1-5H3,(H,18,19,20)/b12-9+
InChIKeyWRZXLNYMRBEJAQ-FMIVXFBMSA-N
MW319.48 g/mol
LogP3.52
Rot. Bonds5

About N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide

N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide (PubChem CID 11324648) has the molecular formula C17H25NO3Si and a molecular weight of 319.48 g/mol. Its IUPAC name is N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide.

Molecular Properties

Compound NameN-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide
PubChem CID11324648
Molecular FormulaC17H25NO3Si
Molecular Weight319.48 g/mol
Exact Mass319.16
IUPAC NameN-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide
SMILESCC(C)(C)[Si](C)(C)OC/C=C/C(=O)NC(=O)c1ccccc1
InChIInChI=1S/C17H25NO3Si/c1-17(2,3)22(4,5)21-13-9-12-15(19)18-16(20)14-10-7-6-8-11-14/h6-12H,13H2,1-5H3,(H,18,19,20)/b12-9+
InChIKeyWRZXLNYMRBEJAQ-FMIVXFBMSA-N
XLogP3.52
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.48
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 85272131
(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoic acid
CID 87108753
N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-1-enyl]benzamide
CID 154719744
dimethyl 2-benzyl-2-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]propanedioate
CID 16720526
methyl 2-benzamido-4-[tert-butyl(dimethyl)silyl]oxy-2-methylbutanoate
CID 102407675
(E)-7-[tert-butyl(dimethyl)silyl]oxy-5-hydroxy-1-phenylhept-2-en-1-one
CID 132520727
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]-2-[(E)-3-phenylprop-2-enyl]propane-1,3-diol
CID 16720182
2-[2-[(E)-3-[tert-butyl(dimethyl)silyl]oxyprop-1-enyl]phenyl]-1-(4-methylsulfanylphenyl)ethanone
CID 10501857
tert-butyl-dimethyl-[(E)-4-methylidene-7-phenylmethoxyhept-2-enoxy]silane
CID 134982966
tert-butyl-[(E,4E)-4-(iodomethylidene)hex-2-enoxy]-dimethylsilane
CID 71530233
[(7Z)-9-[tert-butyl(dimethyl)silyl]oxy-2,7-dimethylnona-2,7-dien-5-yn-4-yl] benzoate
CID 46854924
2-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enyl]isoindole-1,3-dione
CID 150593659

Frequently Asked Questions

What is the IUPAC name of N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide?
The IUPAC name of N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide (CID 11324648) is N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide.
What is the SMILES notation for N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide?
The canonical SMILES for N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide is CC(C)(C)[Si](C)(C)OC/C=C/C(=O)NC(=O)c1ccccc1.
What is the InChIKey of N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide?
The InChIKey is WRZXLNYMRBEJAQ-FMIVXFBMSA-N. The full InChI is InChI=1S/C17H25NO3Si/c1-17(2,3)22(4,5)21-13-9-12-15(19)18-16(20)14-10-7-6-8-11-14/h6-12H,13H2,1-5H3,(H,18,19,20)/b12-9+.
What are the key properties of N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide?
N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide has a molecular weight of 319.48 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-4-[tert-butyl(dimethyl)silyl]oxybut-2-enoyl]benzamide is sourced from PubChem (CID 11324648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).