N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide

C15H23NO3S — CID 103801268

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide
SMILESCSC(CO)C(C)NC(=O)CCCOc1ccccc1
InChIInChI=1S/C15H23NO3S/c1-12(14(11-17)20-2)16-15(18)9-6-10-19-13-7-4-3-5-8-13/h3-5,7-8,12,14,17H,6,9-11H2,1-2H3,(H,16,18)
InChIKeyZYKNAXZTZDYLAC-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.07
Rot. Bonds9

About N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide (PubChem CID 103801268) has the molecular formula C15H23NO3S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide
PubChem CID103801268
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide
SMILESCSC(CO)C(C)NC(=O)CCCOc1ccccc1
InChIInChI=1S/C15H23NO3S/c1-12(14(11-17)20-2)16-15(18)9-6-10-19-13-7-4-3-5-8-13/h3-5,7-8,12,14,17H,6,9-11H2,1-2H3,(H,16,18)
InChIKeyZYKNAXZTZDYLAC-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-(3-methylphenoxy)butanamide
CID 103798718
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-(2-methylphenoxy)butanamide
CID 103798851
3-(2-chlorophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103798898
3-(3,5-dimethylphenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103798968
3-(3,4-dichlorophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103867190
3-hydroxy-2-(4-phenoxybutanoylamino)butanoic acid
CID 43238749
2-(4-bromophenoxy)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103798879
4-(4-chlorophenyl)sulfanyl-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)butanamide
CID 103801328
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(3-propan-2-ylphenoxy)acetamide
CID 103801162
(2S,3S)-3-methyl-2-(4-phenoxybutanoylamino)pentanoic acid
CID 61138065
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 103801148
3-ethoxy-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)propanamide
CID 103799042

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide (CID 103801268) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide is CSC(CO)C(C)NC(=O)CCCOc1ccccc1.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide?
The InChIKey is ZYKNAXZTZDYLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-12(14(11-17)20-2)16-15(18)9-6-10-19-13-7-4-3-5-8-13/h3-5,7-8,12,14,17H,6,9-11H2,1-2H3,(H,16,18).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide has a molecular weight of 297.42 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide is sourced from PubChem (CID 103801268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).