N-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide

C20H33NO2Si — CID 11530351

IUPACN-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide
SMILESCC(=O)N(CCC/C=C\O[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C20H33NO2Si/c1-18(22)21(17-19-13-9-7-10-14-19)15-11-8-12-16-23-24(5,6)20(2,3)4/h7,9-10,12-14,16H,8,11,15,17H2,1-6H3/b16-12-
InChIKeyMWDFWIDSFQAAHJ-VBKFSLOCSA-N
MW347.57 g/mol
LogP5.35
Rot. Bonds8

About N-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide

N-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide (PubChem CID 11530351) has the molecular formula C20H33NO2Si and a molecular weight of 347.57 g/mol. Its IUPAC name is N-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide
PubChem CID11530351
Molecular FormulaC20H33NO2Si
Molecular Weight347.57 g/mol
Exact Mass347.23
IUPAC NameN-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide
SMILESCC(=O)N(CCC/C=C\O[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C20H33NO2Si/c1-18(22)21(17-19-13-9-7-10-14-19)15-11-8-12-16-23-24(5,6)20(2,3)4/h7,9-10,12-14,16H,8,11,15,17H2,1-6H3/b16-12-
InChIKeyMWDFWIDSFQAAHJ-VBKFSLOCSA-N
XLogP5.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.57
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide?
The IUPAC name of N-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide (CID 11530351) is N-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide.
What is the SMILES notation for N-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide?
The canonical SMILES for N-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide is CC(=O)N(CCC/C=C\O[Si](C)(C)C(C)(C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide?
The InChIKey is MWDFWIDSFQAAHJ-VBKFSLOCSA-N. The full InChI is InChI=1S/C20H33NO2Si/c1-18(22)21(17-19-13-9-7-10-14-19)15-11-8-12-16-23-24(5,6)20(2,3)4/h7,9-10,12-14,16H,8,11,15,17H2,1-6H3/b16-12-.
What are the key properties of N-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide?
N-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide has a molecular weight of 347.57 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(Z)-5-[tert-butyl(dimethyl)silyl]oxypent-4-enyl]acetamide is sourced from PubChem (CID 11530351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).