N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide

C16H15NO3 — CID 110465913

IUPACN-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide
SMILESCc1cc(O)ccc1NC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-11-9-13(18)7-8-14(11)17-16(20)10-15(19)12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,17,20)
InChIKeyFQQQMIFYWLCNIB-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.91
Rot. Bonds4

About N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide

N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide (PubChem CID 110465913) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide
PubChem CID110465913
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC NameN-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide
SMILESCc1cc(O)ccc1NC(=O)CC(=O)c1ccccc1
InChIInChI=1S/C16H15NO3/c1-11-9-13(18)7-8-14(11)17-16(20)10-15(19)12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,17,20)
InChIKeyFQQQMIFYWLCNIB-UHFFFAOYSA-N
XLogP2.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-(4-hydroxy-2-methylanilino)-5-oxopentanoic acid
CID 27407074
N-(2-methoxyphenyl)-3-oxo-3-phenylpropanamide
CID 7079
5-amino-N-(4-hydroxy-2-methylphenyl)-4-methylpentanamide
CID 82689437
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108509538
4-oxo-4-phenyl-N-(2,4,6-trimethylphenyl)butanamide
CID 78776242
N-(4-hydroxy-2-methylphenyl)-5-methoxypentanamide
CID 71990885
5-hydroxy-2-[[2-(2-methylphenyl)acetyl]amino]benzoic acid
CID 61406202
N'-(2,6-dimethylphenyl)-N-(2-methylphenyl)propanediamide
CID 108952911
2-(aminomethyl)-N-(4-hydroxy-2-methylphenyl)benzamide
CID 82546852
2-fluoro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 1234575
N-(2-methyl-4-pyridinyl)-3-oxo-3-phenylpropanamide
CID 110463363

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide?
The IUPAC name of N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide (CID 110465913) is N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide.
What is the SMILES notation for N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide?
The canonical SMILES for N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide is Cc1cc(O)ccc1NC(=O)CC(=O)c1ccccc1.
What is the InChIKey of N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide?
The InChIKey is FQQQMIFYWLCNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-9-13(18)7-8-14(11)17-16(20)10-15(19)12-5-3-2-4-6-12/h2-9,18H,10H2,1H3,(H,17,20).
What are the key properties of N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide?
N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide has a molecular weight of 269.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide is sourced from PubChem (CID 110465913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).