2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide

C13H19NO3 — CID 113245894

IUPAC2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
SMILESCOC(C)(C)CNC(=O)c1ccc(C)cc1O
InChIInChI=1S/C13H19NO3/c1-9-5-6-10(11(15)7-9)12(16)14-8-13(2,3)17-4/h5-7,15H,8H2,1-4H3,(H,14,16)
InChIKeyNINPYAKFGFWWHG-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.86
Rot. Bonds4

About 2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide

2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide (PubChem CID 113245894) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
PubChem CID113245894
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
SMILESCOC(C)(C)CNC(=O)c1ccc(C)cc1O
InChIInChI=1S/C13H19NO3/c1-9-5-6-10(11(15)7-9)12(16)14-8-13(2,3)17-4/h5-7,15H,8H2,1-4H3,(H,14,16)
InChIKeyNINPYAKFGFWWHG-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dihydroxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 103714343
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709
2-(3-hydroxyprop-1-ynyl)-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 104764878
2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82723944
4-[(2-methoxy-2-methylpropyl)carbamoyl]-3-methylbenzenesulfonyl chloride
CID 104761583
N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide
CID 107158602
N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide
CID 115661128
N-(2-cyclohexylethyl)-2-hydroxy-4-methylbenzamide
CID 63526438
N-(2-ethoxy-2-methylpropyl)-4-fluoro-2-hydroxybenzamide
CID 105343049
N-(2-methoxy-2-methylpropyl)-2-sulfanylbenzamide
CID 107034954
2-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62657497

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide?
The IUPAC name of 2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide (CID 113245894) is 2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide is COC(C)(C)CNC(=O)c1ccc(C)cc1O.
What is the InChIKey of 2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide?
The InChIKey is NINPYAKFGFWWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-5-6-10(11(15)7-9)12(16)14-8-13(2,3)17-4/h5-7,15H,8H2,1-4H3,(H,14,16).
What are the key properties of 2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide?
2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide is sourced from PubChem (CID 113245894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).