N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide

C14H16N2O2 — CID 60698818

IUPACN-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)n2C)c(O)c1
InChIInChI=1S/C14H16N2O2/c1-9-4-6-11(13(17)8-9)15-14(18)12-7-5-10(2)16(12)3/h4-8,17H,1-3H3,(H,15,18)
InChIKeyUODBPTKHYSBIJL-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.60
Rot. Bonds2

About N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide

N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 60698818) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide
PubChem CID60698818
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC NameN-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)n2C)c(O)c1
InChIInChI=1S/C14H16N2O2/c1-9-4-6-11(13(17)8-9)15-14(18)12-7-5-10(2)16(12)3/h4-8,17H,1-3H3,(H,15,18)
InChIKeyUODBPTKHYSBIJL-UHFFFAOYSA-N
XLogP2.60
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.60
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

(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
2-[(1,5-dimethylpyrrole-2-carbonyl)amino]-5-fluorobenzoic acid
CID 28791303
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
N-[5-(dimethylsulfamoyl)-2-hydroxyphenyl]-1,5-dimethylpyrrole-2-carboxamide
CID 38339887
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
3-fluoro-N-(2-hydroxy-4-methylphenyl)benzamide
CID 2112106
3-fluoro-N-(2-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 9087267
4-bromo-3-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
CID 107812550
4-bromo-2-[(1,5-dimethylpyrrole-2-carbonyl)amino]benzoic acid
CID 60915841
N-[5-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-1,5-dimethylpyrrole-2-carboxamide
CID 60804713
3-(2-hydroxy-4-methylphenyl)-1,1-dimethylurea
CID 79154521
N-[5-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]-1,5-dimethylpyrrole-2-carboxamide
CID 81268033

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide (CID 60698818) is N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(NC(=O)c2ccc(C)n2C)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is UODBPTKHYSBIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-9-4-6-11(13(17)8-9)15-14(18)12-7-5-10(2)16(12)3/h4-8,17H,1-3H3,(H,15,18).
What are the key properties of N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide?
N-(2-hydroxy-4-methylphenyl)-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 244.29 g/mol, XLogP of 2.60, 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)-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 60698818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).