(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide

C18H21NO3 — CID 58594527

IUPAC(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@](C)(O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-13-4-8-15(9-5-13)19-17(20)18(3,21)12-22-16-10-6-14(2)7-11-16/h4-11,21H,12H2,1-3H3,(H,19,20)/t18-/m0/s1
InChIKeyVGQBVGGDFXUCKK-SFHVURJKSA-N
MW299.37 g/mol
LogP3.07
Rot. Bonds5

About (2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide

(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide (PubChem CID 58594527) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
PubChem CID58594527
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)[C@@](C)(O)COc2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO3/c1-13-4-8-15(9-5-13)19-17(20)18(3,21)12-22-16-10-6-14(2)7-11-16/h4-11,21H,12H2,1-3H3,(H,19,20)/t18-/m0/s1
InChIKeyVGQBVGGDFXUCKK-SFHVURJKSA-N
XLogP3.07
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide
CID 23596876
(2S)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methyl-3-(4-methylphenoxy)propanamide
CID 58592438
2-hydroxy-2-methyl-3-[4-(pentafluoro-λ6-sulfanyl)phenoxy]-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]propanamide
CID 155532276
(2S)-N-(3-chloro-4-(113C)methylidyne(15N)azaniumylphenyl)-2-hydroxy-2-methyl-3-(4-methylphenoxy)propanamide
CID 59140709
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(4-methylphenoxy)propanamide
CID 71022253
(2S)-N-(4-cyanophenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
CID 142885777
(2S)-N-(4-cyano-3-methylphenyl)-2-hydroxy-2-methyl-3-(4-methylphenoxy)propanamide;(2S)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)-3-(4-methylphenoxy)propanamide
CID 161391813
(2S)-3-(4-fluorophenoxy)-2-hydroxy-N-(4-iodo-3-methylphenyl)-2-methylpropanamide
CID 58619244
(2R)-3-(4-chlorophenoxy)-2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)propanamide
CID 11979027
(2S)-N-(4-bromo-3-methylphenyl)-3-(4-fluorophenoxy)-2-hydroxy-2-methylpropanamide
CID 58619254
2-hydroxy-2-methyl-N-(3-methyl-4-nitrophenyl)-3-[4-(trifluoromethoxy)phenoxy]propanamide
CID 67526286
3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-pyridin-2-ylpropanamide
CID 58860966

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide?
The IUPAC name of (2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide (CID 58594527) is (2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide.
What is the SMILES notation for (2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide?
The canonical SMILES for (2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)[C@@](C)(O)COc2ccc(C)cc2)cc1.
What is the InChIKey of (2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide?
The InChIKey is VGQBVGGDFXUCKK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13-4-8-15(9-5-13)19-17(20)18(3,21)12-22-16-10-6-14(2)7-11-16/h4-11,21H,12H2,1-3H3,(H,19,20)/t18-/m0/s1.
What are the key properties of (2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide?
(2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide has a molecular weight of 299.37 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-methyl-3-(4-methylphenoxy)-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 58594527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).