2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

C9H19NO3S — CID 71787169

IUPAC2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCCOCC(=O)NCC(C)(O)CSC
InChIInChI=1S/C9H19NO3S/c1-4-13-5-8(11)10-6-9(2,12)7-14-3/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyUQJGNAVQVANMQM-UHFFFAOYSA-N
MW221.32 g/mol
LogP0.25
Rot. Bonds7

About 2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide

2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (PubChem CID 71787169) has the molecular formula C9H19NO3S and a molecular weight of 221.32 g/mol. Its IUPAC name is 2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
PubChem CID71787169
Molecular FormulaC9H19NO3S
Molecular Weight221.32 g/mol
Exact Mass221.11
IUPAC Name2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide
SMILESCCOCC(=O)NCC(C)(O)CSC
InChIInChI=1S/C9H19NO3S/c1-4-13-5-8(11)10-6-9(2,12)7-14-3/h12H,4-7H2,1-3H3,(H,10,11)
InChIKeyUQJGNAVQVANMQM-UHFFFAOYSA-N
XLogP0.25
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpropan-2-yl)oxy]-N-[2-(trifluoromethylsulfanyl)ethyl]acetamide
CID 103942936
2-ethoxy-N-(2-hydroxy-2-methyl-4-(methylthio)butyl)acetamide
CID 71787259
N-{[(R)-3-methoxytetrahydro-3-thienyl]methyl}ethoxyacetamide
CID 97414551
(2R)-2-methoxy-N-(2-methylpropyl)-4-methylsulfanylbutanamide
CID 57751222
2-(3-methylbutoxy)-N-(3-methylsulfanylpropyl)propanamide
CID 87666099
2-methyl-N-(3-methylsulfanylpropyl)-2-propoxybutanamide
CID 87666948
2-butoxy-2-methyl-N-(3-sulfanylpropyl)propanamide
CID 89262550
N-(2-butan-2-yloxyethyl)-3-methylsulfanylpropanamide
CID 123735543
N-(4-methyl-4-methylsulfanylpentyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 138580299
2-hydroxy-2-methyl-N-[2-[(2-methylsulfanylcyclopropyl)methoxy]ethyl]butanamide
CID 145560781
N-(3-tert-butylsulfanylpropyl)-2-methoxyacetamide
CID 151012070
2-aminooxy-N-[2-(3-methylsulfanylpropoxy)ethyl]acetamide
CID 153489313

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The IUPAC name of 2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide (CID 71787169) is 2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The canonical SMILES for 2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide is CCOCC(=O)NCC(C)(O)CSC.
What is the InChIKey of 2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
The InChIKey is UQJGNAVQVANMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3S/c1-4-13-5-8(11)10-6-9(2,12)7-14-3/h12H,4-7H2,1-3H3,(H,10,11).
What are the key properties of 2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide?
2-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)acetamide has a molecular weight of 221.32 g/mol, XLogP of 0.25, 7 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-3-methylsulfanylpropyl)acetamide is sourced from PubChem (CID 71787169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).