2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide

C12H17NO3 — CID 82723944

IUPAC2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCc1ccc(C(=O)NOC(C)(C)C)c(O)c1
InChIInChI=1S/C12H17NO3/c1-8-5-6-9(10(14)7-8)11(15)13-16-12(2,3)4/h5-7,14H,1-4H3,(H,13,15)
InChIKeyPKKYRNASKVJNHU-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.16
Rot. Bonds2

About 2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide

2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide (PubChem CID 82723944) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
PubChem CID82723944
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
SMILESCc1ccc(C(=O)NOC(C)(C)C)c(O)c1
InChIInChI=1S/C12H17NO3/c1-8-5-6-9(10(14)7-8)11(15)13-16-12(2,3)4/h5-7,14H,1-4H3,(H,13,15)
InChIKeyPKKYRNASKVJNHU-UHFFFAOYSA-N
XLogP2.16
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-2-hydroxy-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 91646563
3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbamoyl]benzoic acid
CID 89159084
2-fluoro-5-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82724689
2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
CID 103933318
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709
2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 113245894
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 104579469
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
amino 2-hydroxy-4-methylbenzoate
CID 174368722
N-(2-amino-4,4-dimethylpentyl)-2-hydroxy-4-methylbenzamide
CID 107158602
2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 24700633
2-hydroxy-4-methyl-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62641544

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
The IUPAC name of 2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide (CID 82723944) is 2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide.
What is the SMILES notation for 2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
The canonical SMILES for 2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide is Cc1ccc(C(=O)NOC(C)(C)C)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
The InChIKey is PKKYRNASKVJNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-5-6-9(10(14)7-8)11(15)13-16-12(2,3)4/h5-7,14H,1-4H3,(H,13,15).
What are the key properties of 2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide?
2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide has a molecular weight of 223.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide is sourced from PubChem (CID 82723944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).