N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide

C13H17NO3 — CID 81426078

IUPACN-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
SMILESCc1ccc(NC(=O)C2OCCC2C)c(O)c1
InChIInChI=1S/C13H17NO3/c1-8-3-4-10(11(15)7-8)14-13(16)12-9(2)5-6-17-12/h3-4,7,9,12,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyLSUWYMYNNNPTIH-UHFFFAOYSA-N
MW235.28 g/mol
LogP2.06
Rot. Bonds2

About N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide

N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide (PubChem CID 81426078) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
PubChem CID81426078
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
SMILESCc1ccc(NC(=O)C2OCCC2C)c(O)c1
InChIInChI=1S/C13H17NO3/c1-8-3-4-10(11(15)7-8)14-13(16)12-9(2)5-6-17-12/h3-4,7,9,12,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyLSUWYMYNNNPTIH-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxy-5-nitrophenyl)-3-methyloxolane-2-carboxamide
CID 103894364
N-(2-fluoro-4-sulfamoylphenyl)-3-methyloxolane-2-carboxamide
CID 81434051
2-[(2-hydroxy-4-methylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 22688939
2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 113458398
N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide
CID 91650588
N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide
CID 103842465
N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
CID 75503564
(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
CID 124591887
N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
CID 81468862
N-(2-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703052
(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
N-[2-(2-hydroxy-4-methylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 46450422

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide (CID 81426078) is N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide is Cc1ccc(NC(=O)C2OCCC2C)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide?
The InChIKey is LSUWYMYNNNPTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-3-4-10(11(15)7-8)14-13(16)12-9(2)5-6-17-12/h3-4,7,9,12,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide?
N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide has a molecular weight of 235.28 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 81426078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).