N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide

C14H19NO2 — CID 849113

IUPACN-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(O)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C14H19NO2/c1-10-7-8-13(16)12(9-10)15-14(17)11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3,(H,15,17)
InChIKeyLCLUUGCROVAZTI-UHFFFAOYSA-N
MW233.31 g/mol
LogP3.22
Rot. Bonds2

About N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide

N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide (PubChem CID 849113) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide
PubChem CID849113
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide
SMILESCc1ccc(O)c(NC(=O)C2CCCCC2)c1
InChIInChI=1S/C14H19NO2/c1-10-7-8-13(16)12(9-10)15-14(17)11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3,(H,15,17)
InChIKeyLCLUUGCROVAZTI-UHFFFAOYSA-N
XLogP3.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide?
The IUPAC name of N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide (CID 849113) is N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide.
What is the SMILES notation for N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide?
The canonical SMILES for N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide is Cc1ccc(O)c(NC(=O)C2CCCCC2)c1.
What is the InChIKey of N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide?
The InChIKey is LCLUUGCROVAZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-7-8-13(16)12(9-10)15-14(17)11-5-3-2-4-6-11/h7-9,11,16H,2-6H2,1H3,(H,15,17).
What are the key properties of N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide?
N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide has a molecular weight of 233.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-5-methylphenyl)cyclohexanecarboxamide is sourced from PubChem (CID 849113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).