N-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide

C21H33NO2Si — CID 139706990

IUPACN-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide
SMILESCCCCN(Cc1ccccc1)C(=O)C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H33NO2Si/c1-7-8-16-22(18-19-13-10-9-11-14-19)20(23)15-12-17-24-25(5,6)21(2,3)4/h9-11,13-14H,7-8,16-18H2,1-6H3
InChIKeyNOHRBQIYUOZTEY-UHFFFAOYSA-N
MW359.59 g/mol
LogP4.84
Rot. Bonds7

About N-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide

N-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide (PubChem CID 139706990) has the molecular formula C21H33NO2Si and a molecular weight of 359.59 g/mol. Its IUPAC name is N-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide.

Molecular Properties

Compound NameN-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide
PubChem CID139706990
Molecular FormulaC21H33NO2Si
Molecular Weight359.59 g/mol
Exact Mass359.23
IUPAC NameN-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide
SMILESCCCCN(Cc1ccccc1)C(=O)C#CCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H33NO2Si/c1-7-8-16-22(18-19-13-10-9-11-14-19)20(23)15-12-17-24-25(5,6)21(2,3)4/h9-11,13-14H,7-8,16-18H2,1-6H3
InChIKeyNOHRBQIYUOZTEY-UHFFFAOYSA-N
XLogP4.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.59
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide?
The IUPAC name of N-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide (CID 139706990) is N-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide.
What is the SMILES notation for N-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide?
The canonical SMILES for N-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide is CCCCN(Cc1ccccc1)C(=O)C#CCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of N-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide?
The InChIKey is NOHRBQIYUOZTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO2Si/c1-7-8-16-22(18-19-13-10-9-11-14-19)20(23)15-12-17-24-25(5,6)21(2,3)4/h9-11,13-14H,7-8,16-18H2,1-6H3.
What are the key properties of N-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide?
N-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide has a molecular weight of 359.59 g/mol, XLogP of 4.84, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butyl-4-[tert-butyl(dimethyl)silyl]oxybut-2-ynamide is sourced from PubChem (CID 139706990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).