4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide

C11H24N2O3S — CID 114227646

IUPAC4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide
SMILESCCOC(CN)CC(=O)NCC(C)(O)CSC
InChIInChI=1S/C11H24N2O3S/c1-4-16-9(6-12)5-10(14)13-7-11(2,15)8-17-3/h9,15H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyYFBFUHDIZJTQOO-UHFFFAOYSA-N
MW264.39 g/mol
LogP-0.03
Rot. Bonds9

About 4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide

4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide (PubChem CID 114227646) has the molecular formula C11H24N2O3S and a molecular weight of 264.39 g/mol. Its IUPAC name is 4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide.

Molecular Properties

Compound Name4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide
PubChem CID114227646
Molecular FormulaC11H24N2O3S
Molecular Weight264.39 g/mol
Exact Mass264.15
IUPAC Name4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide
SMILESCCOC(CN)CC(=O)NCC(C)(O)CSC
InChIInChI=1S/C11H24N2O3S/c1-4-16-9(6-12)5-10(14)13-7-11(2,15)8-17-3/h9,15H,4-8,12H2,1-3H3,(H,13,14)
InChIKeyYFBFUHDIZJTQOO-UHFFFAOYSA-N
XLogP-0.03
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,2-difluoroethoxy)-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)propanamide
CID 103522093
S-[2-(propanoylamino)ethyl] 4-amino-3-hydroxybutanethioate
CID 142137607
3-Methylsulfanyl-2-morpholin-2-ylpropanamide
CID 174486394
N-(2-methylsulfanylethyl)-2-morpholin-2-ylacetamide
CID 66428331
N-(3-methylsulfanylpropyl)-2-morpholin-2-ylacetamide
CID 66428332
N-(2-methyl-3-methylsulfanylpropyl)-2-morpholin-2-ylacetamide
CID 66428333
N-[(2S)-2-methylsulfanylpropyl]-2-[(2R)-morpholin-2-yl]acetamide
CID 99596358
N-[(2R)-2-methylsulfanylpropyl]-2-[(2R)-morpholin-2-yl]acetamide
CID 99596361
N-[(2S)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 99596363
N-[(2R)-2-methylsulfanylpropyl]-2-[(2S)-morpholin-2-yl]acetamide
CID 99596364
N-(2-methylsulfanylpropyl)-2-morpholin-2-ylacetamide;hydrochloride
CID 102561585
N-(2-methylsulfanylpropyl)-2-morpholin-2-ylacetamide
CID 102561586

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide?
The IUPAC name of 4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide (CID 114227646) is 4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide.
What is the SMILES notation for 4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide?
The canonical SMILES for 4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide is CCOC(CN)CC(=O)NCC(C)(O)CSC.
What is the InChIKey of 4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide?
The InChIKey is YFBFUHDIZJTQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3S/c1-4-16-9(6-12)5-10(14)13-7-11(2,15)8-17-3/h9,15H,4-8,12H2,1-3H3,(H,13,14).
What are the key properties of 4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide?
4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide has a molecular weight of 264.39 g/mol, XLogP of -0.03, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-ethoxy-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)butanamide is sourced from PubChem (CID 114227646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).