(E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide

C19H31NO4Si — CID 15965604

IUPAC(E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide
SMILESCCO[Si](C/C=C(\C)CC(=O)NCc1ccccc1)(OCC)OCC
InChIInChI=1S/C19H31NO4Si/c1-5-22-25(23-6-2,24-7-3)14-13-17(4)15-19(21)20-16-18-11-9-8-10-12-18/h8-13H,5-7,14-16H2,1-4H3,(H,20,21)/b17-13+
InChIKeyHOTIHOUUVVPJJO-GHRIWEEISA-N
MW365.55 g/mol
LogP3.69
Rot. Bonds12

About (E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide

(E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide (PubChem CID 15965604) has the molecular formula C19H31NO4Si and a molecular weight of 365.55 g/mol. Its IUPAC name is (E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide.

Molecular Properties

Compound Name(E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide
PubChem CID15965604
Molecular FormulaC19H31NO4Si
Molecular Weight365.55 g/mol
Exact Mass365.20
IUPAC Name(E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide
SMILESCCO[Si](C/C=C(\C)CC(=O)NCc1ccccc1)(OCC)OCC
InChIInChI=1S/C19H31NO4Si/c1-5-22-25(23-6-2,24-7-3)14-13-17(4)15-19(21)20-16-18-11-9-8-10-12-18/h8-13H,5-7,14-16H2,1-4H3,(H,20,21)/b17-13+
InChIKeyHOTIHOUUVVPJJO-GHRIWEEISA-N
XLogP3.69
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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N-Benzyl-linoleamide
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N-Benzylacetamide
CID 11500
Acetoacetobenzylamide
CID 70159
(5Z,8Z,11Z,14Z)-N-benzylicosa-5,8,11,14-tetraenamide
CID 101733925
(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide
CID 162516979
N-benzyloctadecanamide
CID 220495
N-Benzyldodecanamide
CID 54134
Propanamide, 2-methyl-N-(phenylmethyl)-
CID 94895
N-Benzyl-butyramide
CID 221807

Frequently Asked Questions

What is the IUPAC name of (E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide?
The IUPAC name of (E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide (CID 15965604) is (E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide.
What is the SMILES notation for (E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide?
The canonical SMILES for (E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide is CCO[Si](C/C=C(\C)CC(=O)NCc1ccccc1)(OCC)OCC.
What is the InChIKey of (E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide?
The InChIKey is HOTIHOUUVVPJJO-GHRIWEEISA-N. The full InChI is InChI=1S/C19H31NO4Si/c1-5-22-25(23-6-2,24-7-3)14-13-17(4)15-19(21)20-16-18-11-9-8-10-12-18/h8-13H,5-7,14-16H2,1-4H3,(H,20,21)/b17-13+.
What are the key properties of (E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide?
(E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide has a molecular weight of 365.55 g/mol, XLogP of 3.69, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-benzyl-3-methyl-5-triethoxysilylpent-3-enamide is sourced from PubChem (CID 15965604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).