N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide

C11H23NO3S — CID 79381188

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)CSCCOC
InChIInChI=1S/C11H23NO3S/c1-5-12(9-11(2,3)14)10(13)8-16-7-6-15-4/h14H,5-9H2,1-4H3
InChIKeyVKFKRYTXWPBOQH-UHFFFAOYSA-N
MW249.38 g/mol
LogP0.99
Rot. Bonds8

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide (PubChem CID 79381188) has the molecular formula C11H23NO3S and a molecular weight of 249.38 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide
PubChem CID79381188
Molecular FormulaC11H23NO3S
Molecular Weight249.38 g/mol
Exact Mass249.14
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide
SMILESCCN(CC(C)(C)O)C(=O)CSCCOC
InChIInChI=1S/C11H23NO3S/c1-5-12(9-11(2,3)14)10(13)8-16-7-6-15-4/h14H,5-9H2,1-4H3
InChIKeyVKFKRYTXWPBOQH-UHFFFAOYSA-N
XLogP0.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide (CID 79381188) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide is CCN(CC(C)(C)O)C(=O)CSCCOC.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide?
The InChIKey is VKFKRYTXWPBOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3S/c1-5-12(9-11(2,3)14)10(13)8-16-7-6-15-4/h14H,5-9H2,1-4H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide has a molecular weight of 249.38 g/mol, XLogP of 0.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-2-(2-methoxyethylsulfanyl)acetamide is sourced from PubChem (CID 79381188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).