N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide

C14H19NO3 — CID 106834575

IUPACN-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCOC2)c(C)cc1O
InChIInChI=1S/C14H19NO3/c1-9-7-13(16)10(2)6-12(9)15-14(17)11-4-3-5-18-8-11/h6-7,11,16H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyOMSSMJQPHLTHBY-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.37
Rot. Bonds2

About N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide

N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide (PubChem CID 106834575) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide
PubChem CID106834575
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide
SMILESCc1cc(NC(=O)C2CCCOC2)c(C)cc1O
InChIInChI=1S/C14H19NO3/c1-9-7-13(16)10(2)6-12(9)15-14(17)11-4-3-5-18-8-11/h6-7,11,16H,3-5,8H2,1-2H3,(H,15,17)
InChIKeyOMSSMJQPHLTHBY-UHFFFAOYSA-N
XLogP2.37
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-bromo-3,5-dimethylphenyl)oxane-3-carboxamide
CID 106491147
N-(2-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64787080
5-methyl-2-(oxane-3-carbonylamino)benzoic acid
CID 62761030
N-[5-(3-aminoprop-1-ynyl)-2-methylphenyl]oxane-3-carboxamide
CID 62760338
2,5-dimethyl-4-(oxan-3-ylmethylamino)phenol
CID 106953820
3,5-dimethyl-4-(oxane-3-carbonylamino)benzenesulfonyl chloride
CID 63011502
N-(2-amino-4-bromo-6-methylphenyl)oxane-3-carboxamide
CID 63010459
3,5-dimethyl-2-(oxane-3-carbonylamino)benzoic acid
CID 63112148
N-(3-methyl-4-sulfamoylphenyl)oxane-3-carboxamide
CID 63015081
N-(3-fluoro-4-hydroxyphenyl)oxane-3-carboxamide
CID 64780687
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]oxane-3-carboxamide
CID 82766265
N-(2-aminophenyl)oxane-3-carboxamide;hydrochloride
CID 119422429

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide?
The IUPAC name of N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide (CID 106834575) is N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide.
What is the SMILES notation for N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide?
The canonical SMILES for N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide is Cc1cc(NC(=O)C2CCCOC2)c(C)cc1O.
What is the InChIKey of N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide?
The InChIKey is OMSSMJQPHLTHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9-7-13(16)10(2)6-12(9)15-14(17)11-4-3-5-18-8-11/h6-7,11,16H,3-5,8H2,1-2H3,(H,15,17).
What are the key properties of N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide?
N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide has a molecular weight of 249.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,5-dimethylphenyl)oxane-3-carboxamide is sourced from PubChem (CID 106834575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).