3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide

C9H18Cl3NO3Si — CID 11359179

IUPAC3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide
SMILESCOCN(C)C(=O)C(O[Si](C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C9H18Cl3NO3Si/c1-13(6-15-2)8(14)7(9(10,11)12)16-17(3,4)5/h7H,6H2,1-5H3
InChIKeyPJOKCEPGXFXPCL-UHFFFAOYSA-N
MW322.69 g/mol
LogP2.64
Rot. Bonds5

About 3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide

3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide (PubChem CID 11359179) has the molecular formula C9H18Cl3NO3Si and a molecular weight of 322.69 g/mol. Its IUPAC name is 3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide.

Molecular Properties

Compound Name3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide
PubChem CID11359179
Molecular FormulaC9H18Cl3NO3Si
Molecular Weight322.69 g/mol
Exact Mass321.01
IUPAC Name3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide
SMILESCOCN(C)C(=O)C(O[Si](C)(C)C)C(Cl)(Cl)Cl
InChIInChI=1S/C9H18Cl3NO3Si/c1-13(6-15-2)8(14)7(9(10,11)12)16-17(3,4)5/h7H,6H2,1-5H3
InChIKeyPJOKCEPGXFXPCL-UHFFFAOYSA-N
XLogP2.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.69
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide?
The IUPAC name of 3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide (CID 11359179) is 3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide.
What is the SMILES notation for 3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide?
The canonical SMILES for 3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide is COCN(C)C(=O)C(O[Si](C)(C)C)C(Cl)(Cl)Cl.
What is the InChIKey of 3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide?
The InChIKey is PJOKCEPGXFXPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18Cl3NO3Si/c1-13(6-15-2)8(14)7(9(10,11)12)16-17(3,4)5/h7H,6H2,1-5H3.
What are the key properties of 3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide?
3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide has a molecular weight of 322.69 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trichloro-N-(methoxymethyl)-N-methyl-2-trimethylsilyloxypropanamide is sourced from PubChem (CID 11359179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).