N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide

C11H22N2O2Si — CID 66431654

IUPACN-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide
SMILESCC(C)(C)NC(=O)CC(C#N)O[Si](C)(C)C
InChIInChI=1S/C11H22N2O2Si/c1-11(2,3)13-10(14)7-9(8-12)15-16(4,5)6/h9H,7H2,1-6H3,(H,13,14)
InChIKeyFZJCAOJGINBBLD-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.03
Rot. Bonds4

About N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide

N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide (PubChem CID 66431654) has the molecular formula C11H22N2O2Si and a molecular weight of 242.39 g/mol. Its IUPAC name is N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide.

Molecular Properties

Compound NameN-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide
PubChem CID66431654
Molecular FormulaC11H22N2O2Si
Molecular Weight242.39 g/mol
Exact Mass242.15
IUPAC NameN-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide
SMILESCC(C)(C)NC(=O)CC(C#N)O[Si](C)(C)C
InChIInChI=1S/C11H22N2O2Si/c1-11(2,3)13-10(14)7-9(8-12)15-16(4,5)6/h9H,7H2,1-6H3,(H,13,14)
InChIKeyFZJCAOJGINBBLD-UHFFFAOYSA-N
XLogP2.03
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide?
The IUPAC name of N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide (CID 66431654) is N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide.
What is the SMILES notation for N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide?
The canonical SMILES for N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide is CC(C)(C)NC(=O)CC(C#N)O[Si](C)(C)C.
What is the InChIKey of N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide?
The InChIKey is FZJCAOJGINBBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2Si/c1-11(2,3)13-10(14)7-9(8-12)15-16(4,5)6/h9H,7H2,1-6H3,(H,13,14).
What are the key properties of N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide?
N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide has a molecular weight of 242.39 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-cyano-3-trimethylsilyloxypropanamide is sourced from PubChem (CID 66431654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).