2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide

C10H21NO3S — CID 71787259

IUPAC2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
SMILESCCOCC(=O)NCC(C)(O)CCSC
InChIInChI=1S/C10H21NO3S/c1-4-14-7-9(12)11-8-10(2,13)5-6-15-3/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeyRYFQJYAUJOJJRK-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.64
Rot. Bonds8

About 2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide

2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide (PubChem CID 71787259) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
PubChem CID71787259
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
SMILESCCOCC(=O)NCC(C)(O)CCSC
InChIInChI=1S/C10H21NO3S/c1-4-14-7-9(12)11-8-10(2,13)5-6-15-3/h13H,4-8H2,1-3H3,(H,11,12)
InChIKeyRYFQJYAUJOJJRK-UHFFFAOYSA-N
XLogP0.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.35
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide?
The IUPAC name of 2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide (CID 71787259) is 2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide?
The canonical SMILES for 2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide is CCOCC(=O)NCC(C)(O)CCSC.
What is the InChIKey of 2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide?
The InChIKey is RYFQJYAUJOJJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-4-14-7-9(12)11-8-10(2,13)5-6-15-3/h13H,4-8H2,1-3H3,(H,11,12).
What are the key properties of 2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide?
2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide has a molecular weight of 235.35 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide is sourced from PubChem (CID 71787259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).