2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide

C13H27NO2Si — CID 167898974

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide
SMILESCN(CC1CC1)C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO2Si/c1-13(2,3)17(5,6)16-10-12(15)14(4)9-11-7-8-11/h11H,7-10H2,1-6H3
InChIKeyHGJXSSCXZDQKQJ-UHFFFAOYSA-N
MW257.45 g/mol
LogP2.88
Rot. Bonds5

About 2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide

2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide (PubChem CID 167898974) has the molecular formula C13H27NO2Si and a molecular weight of 257.45 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide
PubChem CID167898974
Molecular FormulaC13H27NO2Si
Molecular Weight257.45 g/mol
Exact Mass257.18
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide
SMILESCN(CC1CC1)C(=O)CO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C13H27NO2Si/c1-13(2,3)17(5,6)16-10-12(15)14(4)9-11-7-8-11/h11H,7-10H2,1-6H3
InChIKeyHGJXSSCXZDQKQJ-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide (CID 167898974) is 2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide is CN(CC1CC1)C(=O)CO[Si](C)(C)C(C)(C)C.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide?
The InChIKey is HGJXSSCXZDQKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2Si/c1-13(2,3)17(5,6)16-10-12(15)14(4)9-11-7-8-11/h11H,7-10H2,1-6H3.
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide?
2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide has a molecular weight of 257.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-N-(cyclopropylmethyl)-N-methylacetamide is sourced from PubChem (CID 167898974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).