N-benzyl-N-methyl-3-trimethylsilyloxybutanamide

C15H25NO2Si — CID 11808073

IUPACN-benzyl-N-methyl-3-trimethylsilyloxybutanamide
SMILESCC(CC(=O)N(C)Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C15H25NO2Si/c1-13(18-19(3,4)5)11-15(17)16(2)12-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3
InChIKeyDMGZTUWZBKOLRM-UHFFFAOYSA-N
MW279.46 g/mol
LogP3.28
Rot. Bonds6

About N-benzyl-N-methyl-3-trimethylsilyloxybutanamide

N-benzyl-N-methyl-3-trimethylsilyloxybutanamide (PubChem CID 11808073) has the molecular formula C15H25NO2Si and a molecular weight of 279.46 g/mol. Its IUPAC name is N-benzyl-N-methyl-3-trimethylsilyloxybutanamide.

Molecular Properties

Compound NameN-benzyl-N-methyl-3-trimethylsilyloxybutanamide
PubChem CID11808073
Molecular FormulaC15H25NO2Si
Molecular Weight279.46 g/mol
Exact Mass279.17
IUPAC NameN-benzyl-N-methyl-3-trimethylsilyloxybutanamide
SMILESCC(CC(=O)N(C)Cc1ccccc1)O[Si](C)(C)C
InChIInChI=1S/C15H25NO2Si/c1-13(18-19(3,4)5)11-15(17)16(2)12-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3
InChIKeyDMGZTUWZBKOLRM-UHFFFAOYSA-N
XLogP3.28
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.46
LogP ≤ 53.28
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 N-benzyl-N-methyl-3-trimethylsilyloxybutanamide?
The IUPAC name of N-benzyl-N-methyl-3-trimethylsilyloxybutanamide (CID 11808073) is N-benzyl-N-methyl-3-trimethylsilyloxybutanamide.
What is the SMILES notation for N-benzyl-N-methyl-3-trimethylsilyloxybutanamide?
The canonical SMILES for N-benzyl-N-methyl-3-trimethylsilyloxybutanamide is CC(CC(=O)N(C)Cc1ccccc1)O[Si](C)(C)C.
What is the InChIKey of N-benzyl-N-methyl-3-trimethylsilyloxybutanamide?
The InChIKey is DMGZTUWZBKOLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2Si/c1-13(18-19(3,4)5)11-15(17)16(2)12-14-9-7-6-8-10-14/h6-10,13H,11-12H2,1-5H3.
What are the key properties of N-benzyl-N-methyl-3-trimethylsilyloxybutanamide?
N-benzyl-N-methyl-3-trimethylsilyloxybutanamide has a molecular weight of 279.46 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-methyl-3-trimethylsilyloxybutanamide is sourced from PubChem (CID 11808073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).