3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

C10H21NO3S — CID 103799042

IUPAC3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCCOCCC(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H21NO3S/c1-4-14-6-5-10(13)11-8(2)9(7-12)15-3/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyVRWJJDRBZNNXNE-UHFFFAOYSA-N
MW235.35 g/mol
LogP0.64
Rot. Bonds8

About 3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide

3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (PubChem CID 103799042) has the molecular formula C10H21NO3S and a molecular weight of 235.35 g/mol. Its IUPAC name is 3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
PubChem CID103799042
Molecular FormulaC10H21NO3S
Molecular Weight235.35 g/mol
Exact Mass235.12
IUPAC Name3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
SMILESCCOCCC(=O)NC(C)C(CO)SC
InChIInChI=1S/C10H21NO3S/c1-4-14-6-5-10(13)11-8(2)9(7-12)15-3/h8-9,12H,4-7H2,1-3H3,(H,11,13)
InChIKeyVRWJJDRBZNNXNE-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

Computed Properties (RDKit)

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

Analyze 3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2,2-difluoroethoxy)-N-[2-(3-hydroxypropylsulfanyl)ethyl]propanamide
CID 103525080
3-(2,2-difluoroethoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103525150
N-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103767819
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103799045
3,3,3-trifluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103801368
2-fluoro-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-methylpropanamide
CID 109928434
2-fluoro-N-(4-hydroxy-1-methylsulfanylbutan-2-yl)-2-methylpropanamide
CID 109928552
3-hydroxy-2,2-dimethyl-N-(2-methylsulfanylethyl)propanamide
CID 57939630
3-ethoxy-N-(2-methylsulfanylethyl)propanamide
CID 58089205
(2S,5R)-2-(hydroxymethyl)-5-methylthiomorpholin-3-one
CID 89519951
3-ethylsulfanyl-N-(1-hydroxypropan-2-yl)propanamide
CID 91439185
2-(Hydroxymethyl)-5-methylthiomorpholin-3-one
CID 124031730

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The IUPAC name of 3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide (CID 103799042) is 3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide.
What is the SMILES notation for 3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The canonical SMILES for 3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is CCOCCC(=O)NC(C)C(CO)SC.
What is the InChIKey of 3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
The InChIKey is VRWJJDRBZNNXNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3S/c1-4-14-6-5-10(13)11-8(2)9(7-12)15-3/h8-9,12H,4-7H2,1-3H3,(H,11,13).
What are the key properties of 3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide?
3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide 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 3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide is sourced from PubChem (CID 103799042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).