3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide

C16H25NO3 — CID 115969023

IUPAC3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCc1cccc(C)c1OCCC(=O)NC(C)(C)CCO
InChIInChI=1S/C16H25NO3/c1-12-6-5-7-13(2)15(12)20-11-8-14(19)17-16(3,4)9-10-18/h5-7,18H,8-11H2,1-4H3,(H,17,19)
InChIKeyHFBHHWLABWNXKO-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.35
Rot. Bonds7

About 3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide

3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide (PubChem CID 115969023) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
PubChem CID115969023
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Name3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide
SMILESCc1cccc(C)c1OCCC(=O)NC(C)(C)CCO
InChIInChI=1S/C16H25NO3/c1-12-6-5-7-13(2)15(12)20-11-8-14(19)17-16(3,4)9-10-18/h5-7,18H,8-11H2,1-4H3,(H,17,19)
InChIKeyHFBHHWLABWNXKO-UHFFFAOYSA-N
XLogP2.35
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-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

2-(2,3-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)acetamide
CID 115968921
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutan-2-yl)propanamide
CID 115283597
N-(4-hydroxy-2-methylbutan-2-yl)-4-(4-methylphenoxy)butanamide
CID 115968838
(2R)-2-[3-(2,6-dimethylphenoxy)propanoylamino]-4-hydroxybutanoic acid
CID 107823695
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111504976
N-(4-hydroxy-2-methylbutan-2-yl)-3-phenylpropanamide
CID 115870187
methyl 3-[3-(2,6-dimethylphenoxy)propanoylamino]-2-hydroxypropanoate
CID 103958083
2-fluoro-N-(4-hydroxy-2-methylbutan-2-yl)-3-methylbenzamide
CID 113356422
(2S)-2-[3-(2,6-dimethylphenoxy)propanoylamino]-3-methylbutanoic acid
CID 61136603
ethyl 3-(2,6-dimethylphenoxy)propanoate
CID 43173798
6-(2,6-dimethylphenoxy)hexan-1-ol
CID 103801792

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The IUPAC name of 3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide (CID 115969023) is 3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The canonical SMILES for 3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide is Cc1cccc(C)c1OCCC(=O)NC(C)(C)CCO.
What is the InChIKey of 3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
The InChIKey is HFBHHWLABWNXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-12-6-5-7-13(2)15(12)20-11-8-14(19)17-16(3,4)9-10-18/h5-7,18H,8-11H2,1-4H3,(H,17,19).
What are the key properties of 3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide?
3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide has a molecular weight of 279.38 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethylphenoxy)-N-(4-hydroxy-2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 115969023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).