3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide

C13H19NO3 — CID 55190954

IUPAC3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide
SMILESCc1ccc(OCC(C)C(N)=O)c([C@H](C)O)c1
InChIInChI=1S/C13H19NO3/c1-8-4-5-12(11(6-8)10(3)15)17-7-9(2)13(14)16/h4-6,9-10,15H,7H2,1-3H3,(H2,14,16)/t9?,10-/m0/s1
InChIKeyCJUMUHUOYDHXON-AXDSSHIGSA-N
MW237.30 g/mol
LogP1.55
Rot. Bonds5

About 3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide

3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide (PubChem CID 55190954) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide
PubChem CID55190954
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide
SMILESCc1ccc(OCC(C)C(N)=O)c([C@H](C)O)c1
InChIInChI=1S/C13H19NO3/c1-8-4-5-12(11(6-8)10(3)15)17-7-9(2)13(14)16/h4-6,9-10,15H,7H2,1-3H3,(H2,14,16)/t9?,10-/m0/s1
InChIKeyCJUMUHUOYDHXON-AXDSSHIGSA-N
XLogP1.55
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide 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-methyl-3-[4-methyl-2-[1-(methylamino)ethyl]phenoxy]propanamide
CID 43505066
3-(2-amino-5-methylphenoxy)-2-methylpropanamide
CID 43311815
1-[2-(2,2-difluoroethoxy)-5-methylphenyl]ethanol
CID 60923086
1,1,1-trifluoro-3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]propan-2-ol
CID 78954021
(1R)-1-(2-ethoxy-5-methylphenyl)ethanol
CID 63364902
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]propane-1,2-diol
CID 82849372
1-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-3-methoxypropan-2-ol
CID 63928842
3-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N,N-dimethylpropanamide
CID 63366501
methyl 4-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]butanoate
CID 78933644
1-[2-(3-methoxypropoxy)-5-methylphenyl]ethanol
CID 60925219
2-[2-[(1R)-1-hydroxyethyl]-4-methylphenoxy]-N-(2-methylpropyl)acetamide
CID 63365039
(1R)-1-(2-but-2-enoxy-5-methylphenyl)ethanol
CID 78931205

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide?
The IUPAC name of 3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide (CID 55190954) is 3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide.
What is the SMILES notation for 3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide?
The canonical SMILES for 3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide is Cc1ccc(OCC(C)C(N)=O)c([C@H](C)O)c1.
What is the InChIKey of 3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide?
The InChIKey is CJUMUHUOYDHXON-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H19NO3/c1-8-4-5-12(11(6-8)10(3)15)17-7-9(2)13(14)16/h4-6,9-10,15H,7H2,1-3H3,(H2,14,16)/t9?,10-/m0/s1.
What are the key properties of 3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide?
3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-1-hydroxyethyl]-4-methylphenoxy]-2-methylpropanamide is sourced from PubChem (CID 55190954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).