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

C15H23NO3S — CID 103801212

IUPACN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C15H23NO3S/c1-4-13(19-12-8-6-5-7-9-12)15(18)16-11(2)14(10-17)20-3/h5-9,11,13-14,17H,4,10H2,1-3H3,(H,16,18)
InChIKeyNGXGRWJQMKIXAQ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.07
Rot. Bonds8

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

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide (PubChem CID 103801212) 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)-2-phenoxybutanamide.

Molecular Properties

Compound NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide
PubChem CID103801212
Molecular FormulaC15H23NO3S
Molecular Weight297.42 g/mol
Exact Mass297.14
IUPAC NameN-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide
SMILESCCC(Oc1ccccc1)C(=O)NC(C)C(CO)SC
InChIInChI=1S/C15H23NO3S/c1-4-13(19-12-8-6-5-7-9-12)15(18)16-11(2)14(10-17)20-3/h5-9,11,13-14,17H,4,10H2,1-3H3,(H,16,18)
InChIKeyNGXGRWJQMKIXAQ-UHFFFAOYSA-N
XLogP2.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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

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

(2S)-2-phenoxy-N-[(2R)-2-[[(2R)-2-phenoxybutanoyl]amino]propyl]butanamide
CID 40579725
(2S)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308795
(2R)-2-phenoxy-N-[2-[[(2R)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308794
(2R)-2-phenoxy-N-[2-[[(2S)-2-phenoxybutanoyl]amino]ethyl]butanamide
CID 7308793
2-(2-chlorophenyl)-N-(4-hydroxy-3-methylsulfanylbutan-2-yl)acetamide
CID 103798755
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-4-phenoxybutanamide
CID 103801268
N-(3-methyl-2-propan-2-ylbutyl)-2-phenoxybutanamide
CID 102914465
3-methyl-N'-(2-phenoxybutanoyl)butanehydrazide
CID 24543011
(2R)-2-phenoxy-N-[4-[[(2S)-2-phenoxybutanoyl]amino]butyl]butanamide
CID 7449151
(2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-phenoxybutanamide
CID 99132910
N-[(2R)-2-hydroxypropyl]-2-phenoxybutanamide
CID 83031492
(2R)-2-(3-methoxyphenoxy)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 100569169

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide?
The IUPAC name of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide (CID 103801212) is N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide.
What is the SMILES notation for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide?
The canonical SMILES for N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide is CCC(Oc1ccccc1)C(=O)NC(C)C(CO)SC.
What is the InChIKey of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide?
The InChIKey is NGXGRWJQMKIXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3S/c1-4-13(19-12-8-6-5-7-9-12)15(18)16-11(2)14(10-17)20-3/h5-9,11,13-14,17H,4,10H2,1-3H3,(H,16,18).
What are the key properties of N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide?
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2-phenoxybutanamide has a molecular weight of 297.42 g/mol, XLogP of 2.07, 8 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)-2-phenoxybutanamide is sourced from PubChem (CID 103801212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).