(E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide

C23H31NOSi — CID 100985356

IUPAC(E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide
SMILESCC[Si](CC)(CC)C(/C=C/c1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C23H31NOSi/c1-4-26(5-2,6-3)22(18-17-20-13-9-7-10-14-20)23(25)24-19-21-15-11-8-12-16-21/h7-18,22H,4-6,19H2,1-3H3,(H,24,25)/b18-17+
InChIKeyDLRHZDCFUIHMOM-ISLYRVAYSA-N
MW365.59 g/mol
LogP5.89
Rot. Bonds9

About (E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide

(E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide (PubChem CID 100985356) has the molecular formula C23H31NOSi and a molecular weight of 365.59 g/mol. Its IUPAC name is (E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide
PubChem CID100985356
Molecular FormulaC23H31NOSi
Molecular Weight365.59 g/mol
Exact Mass365.22
IUPAC Name(E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide
SMILESCC[Si](CC)(CC)C(/C=C/c1ccccc1)C(=O)NCc1ccccc1
InChIInChI=1S/C23H31NOSi/c1-4-26(5-2,6-3)22(18-17-20-13-9-7-10-14-20)23(25)24-19-21-15-11-8-12-16-21/h7-18,22H,4-6,19H2,1-3H3,(H,24,25)/b18-17+
InChIKeyDLRHZDCFUIHMOM-ISLYRVAYSA-N
XLogP5.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.59
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide?
The IUPAC name of (E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide (CID 100985356) is (E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide.
What is the SMILES notation for (E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide?
The canonical SMILES for (E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide is CC[Si](CC)(CC)C(/C=C/c1ccccc1)C(=O)NCc1ccccc1.
What is the InChIKey of (E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide?
The InChIKey is DLRHZDCFUIHMOM-ISLYRVAYSA-N. The full InChI is InChI=1S/C23H31NOSi/c1-4-26(5-2,6-3)22(18-17-20-13-9-7-10-14-20)23(25)24-19-21-15-11-8-12-16-21/h7-18,22H,4-6,19H2,1-3H3,(H,24,25)/b18-17+.
What are the key properties of (E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide?
(E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide has a molecular weight of 365.59 g/mol, XLogP of 5.89, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-4-phenyl-2-triethylsilylbut-3-enamide is sourced from PubChem (CID 100985356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).