N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide

C17H19NO2 — CID 106834835

IUPACN-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide
SMILESCc1cc(NC(=O)C(C)c2ccccc2)c(C)cc1O
InChIInChI=1S/C17H19NO2/c1-11-10-16(19)12(2)9-15(11)18-17(20)13(3)14-7-5-4-6-8-14/h4-10,13,19H,1-3H3,(H,18,20)
InChIKeyZCQXSVWLDBDGHM-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.75
Rot. Bonds3

About N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide

N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide (PubChem CID 106834835) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide
PubChem CID106834835
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide
SMILESCc1cc(NC(=O)C(C)c2ccccc2)c(C)cc1O
InChIInChI=1S/C17H19NO2/c1-11-10-16(19)12(2)9-15(11)18-17(20)13(3)14-7-5-4-6-8-14/h4-10,13,19H,1-3H3,(H,18,20)
InChIKeyZCQXSVWLDBDGHM-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.75
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

N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylbutanamide
CID 106834917
N-(2-fluoro-4-hydroxyphenyl)-2-phenylpropanamide
CID 104920662
2-phenyl-N-(2,2,7-trimethylchromen-6-yl)propanamide
CID 54176266
(2S)-N-(4-chloro-2-fluorophenyl)-2-phenylpropanamide
CID 896234
N-(2-chlorophenyl)-2-phenylpropanamide
CID 70678301
N-[4-(diethylsulfamoyl)-2-methylphenyl]-2-phenylpropanamide
CID 21214992
N-(3-bromo-2-methylphenyl)-2-phenylpropanamide
CID 104917334
N-(4-hydroxy-2,5-dimethylphenyl)-2-pyrazol-1-ylpropanamide
CID 106834635
(2S)-2-(3-benzoylphenyl)-N-(2,5-dimethylphenyl)propanamide
CID 1019515
2-methyl-3-oxo-3-(2,4,5-trimethylanilino)propanoic acid
CID 115164126
N-(4-hydroxy-2,5-dimethylphenyl)-3-methylbenzamide
CID 5120746
(2R)-N-(2,3-dichlorophenyl)-2-phenylpropanamide
CID 97038158

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide (CID 106834835) is N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide is Cc1cc(NC(=O)C(C)c2ccccc2)c(C)cc1O.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide?
The InChIKey is ZCQXSVWLDBDGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11-10-16(19)12(2)9-15(11)18-17(20)13(3)14-7-5-4-6-8-14/h4-10,13,19H,1-3H3,(H,18,20).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide?
N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide has a molecular weight of 269.34 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)-2-phenylpropanamide is sourced from PubChem (CID 106834835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).