N-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide

C19H31NO2Si — CID 11566181

IUPACN-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide
SMILESCC(=O)N(CC/C=C\O[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H31NO2Si/c1-17(21)20(16-18-12-8-7-9-13-18)14-10-11-15-22-23(5,6)19(2,3)4/h7-9,11-13,15H,10,14,16H2,1-6H3/b15-11-
InChIKeyYZOMIYRUIUXDGB-PTNGSMBKSA-N
MW333.55 g/mol
LogP4.96
Rot. Bonds7

About N-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide

N-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide (PubChem CID 11566181) has the molecular formula C19H31NO2Si and a molecular weight of 333.55 g/mol. Its IUPAC name is N-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide
PubChem CID11566181
Molecular FormulaC19H31NO2Si
Molecular Weight333.55 g/mol
Exact Mass333.21
IUPAC NameN-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide
SMILESCC(=O)N(CC/C=C\O[Si](C)(C)C(C)(C)C)Cc1ccccc1
InChIInChI=1S/C19H31NO2Si/c1-17(21)20(16-18-12-8-7-9-13-18)14-10-11-15-22-23(5,6)19(2,3)4/h7-9,11-13,15H,10,14,16H2,1-6H3/b15-11-
InChIKeyYZOMIYRUIUXDGB-PTNGSMBKSA-N
XLogP4.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide?
The IUPAC name of N-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide (CID 11566181) is N-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide.
What is the SMILES notation for N-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide?
The canonical SMILES for N-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide is CC(=O)N(CC/C=C\O[Si](C)(C)C(C)(C)C)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide?
The InChIKey is YZOMIYRUIUXDGB-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H31NO2Si/c1-17(21)20(16-18-12-8-7-9-13-18)14-10-11-15-22-23(5,6)19(2,3)4/h7-9,11-13,15H,10,14,16H2,1-6H3/b15-11-.
What are the key properties of N-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide?
N-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide has a molecular weight of 333.55 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[(Z)-4-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]acetamide is sourced from PubChem (CID 11566181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).