(2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide

C11H15NO3 — CID 69040097

IUPAC(2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide
SMILESCC[C@H](Oc1ccc(O)cc1)C(=O)NC
InChIInChI=1S/C11H15NO3/c1-3-10(11(14)12-2)15-9-6-4-8(13)5-7-9/h4-7,10,13H,3H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeyVKYXRTCGVSNFEI-JTQLQIEISA-N
MW209.25 g/mol
LogP1.30
Rot. Bonds4

About (2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide

(2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide (PubChem CID 69040097) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is (2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide
PubChem CID69040097
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name(2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide
SMILESCC[C@H](Oc1ccc(O)cc1)C(=O)NC
InChIInChI=1S/C11H15NO3/c1-3-10(11(14)12-2)15-9-6-4-8(13)5-7-9/h4-7,10,13H,3H2,1-2H3,(H,12,14)/t10-/m0/s1
InChIKeyVKYXRTCGVSNFEI-JTQLQIEISA-N
XLogP1.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide 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

(2R)-N-methyl-2-(4-methylphenoxy)butanamide
CID 40742854
methyl 2-(4-hydroxyphenoxy)butanoate
CID 23513287
2-[4-(4-hydroxyphenyl)phenoxy]butanoic acid
CID 69203842
(2S)-2-(4-methylphenoxy)-N-[2-[[(2S)-2-(4-methylphenoxy)butanoyl]amino]ethyl]butanamide
CID 40796762
(2R)-N-ethyl-2-(4-methoxyphenoxy)butanamide
CID 124561354
(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-(4-methylphenoxy)-N'-[2-(4-methylphenoxy)acetyl]butanehydrazide
CID 4950205
2-phenoxy-N-(4-phenylmethoxyphenyl)butanamide
CID 2944488
N-(4-ethylphenyl)-2-(4-methylphenoxy)butanamide
CID 53286287
(2R)-N-(4-ethoxyphenyl)-2-(4-methoxyphenoxy)butanamide
CID 42082583

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide?
The IUPAC name of (2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide (CID 69040097) is (2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide.
What is the SMILES notation for (2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide?
The canonical SMILES for (2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide is CC[C@H](Oc1ccc(O)cc1)C(=O)NC.
What is the InChIKey of (2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide?
The InChIKey is VKYXRTCGVSNFEI-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-10(11(14)12-2)15-9-6-4-8(13)5-7-9/h4-7,10,13H,3H2,1-2H3,(H,12,14)/t10-/m0/s1.
What are the key properties of (2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide?
(2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide has a molecular weight of 209.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-hydroxyphenoxy)-N-methylbutanamide is sourced from PubChem (CID 69040097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).