N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide

C13H19NO2 — CID 2223120

IUPACN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
SMILESCCC(=O)Nc1cc(C(C)C)c(O)cc1C
InChIInChI=1S/C13H19NO2/c1-5-13(16)14-11-7-10(8(2)3)12(15)6-9(11)4/h6-8,15H,5H2,1-4H3,(H,14,16)
InChIKeyUUVLRLNKKNJDCE-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.17
Rot. Bonds3

About N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide

N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide (PubChem CID 2223120) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
PubChem CID2223120
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC NameN-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
SMILESCCC(=O)Nc1cc(C(C)C)c(O)cc1C
InChIInChI=1S/C13H19NO2/c1-5-13(16)14-11-7-10(8(2)3)12(15)6-9(11)4/h6-8,15H,5H2,1-4H3,(H,14,16)
InChIKeyUUVLRLNKKNJDCE-UHFFFAOYSA-N
XLogP3.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-(1-hydroxycyclopentyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 75386664
1,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)thiourea
CID 3757180
4-(hydroxyamino)-5-methyl-2-propan-2-ylphenol
CID 51003755
5-methyl-4-(methylamino)-2-propan-2-ylphenol
CID 82266002
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474826
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide
CID 706309
2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 138811101
N-(4,5-difluoro-2-methylphenyl)propanamide
CID 154643466
N-(4-iodo-2,5-dimethylphenyl)propanamide
CID 839810
N-(2-propan-2-ylphenyl)propanamide
CID 723442
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 19523069
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 166204329

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide?
The IUPAC name of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide (CID 2223120) is N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide.
What is the SMILES notation for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide?
The canonical SMILES for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide is CCC(=O)Nc1cc(C(C)C)c(O)cc1C.
What is the InChIKey of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide?
The InChIKey is UUVLRLNKKNJDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-5-13(16)14-11-7-10(8(2)3)12(15)6-9(11)4/h6-8,15H,5H2,1-4H3,(H,14,16).
What are the key properties of N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide?
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide has a molecular weight of 221.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 2223120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).