2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide

C13H15NO2 — CID 63999734

IUPAC2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
SMILESC#CC(C)(C)NC(=O)c1cccc(C)c1O
InChIInChI=1S/C13H15NO2/c1-5-13(3,4)14-12(16)10-8-6-7-9(2)11(10)15/h1,6-8,15H,2-4H3,(H,14,16)
InChIKeySMPZPQJSUHOQON-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.84
Rot. Bonds2

About 2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide

2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide (PubChem CID 63999734) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
PubChem CID63999734
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
SMILESC#CC(C)(C)NC(=O)c1cccc(C)c1O
InChIInChI=1S/C13H15NO2/c1-5-13(3,4)14-12(16)10-8-6-7-9(2)11(10)15/h1,6-8,15H,2-4H3,(H,14,16)
InChIKeySMPZPQJSUHOQON-UHFFFAOYSA-N
XLogP1.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dihydroxy-N-(2-methylbut-3-yn-2-yl)benzamide
CID 107689396
2-fluoro-N-(2-methylbut-3-yn-2-yl)-3-(trifluoromethyl)benzamide
CID 79885632
N-(1-amino-2-methylbutan-2-yl)-2-hydroxy-3-methylbenzamide
CID 64549061
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-3-methylbenzamide
CID 115365600
N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide
CID 113241222
2-hydroxy-3-[(2-hydroxy-3-methylbenzoyl)amino]-2-methylpropanoic acid
CID 66172396
4-fluoro-N-(2-methylbut-3-yn-2-yl)naphthalene-1-carboxamide
CID 114088227
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
2-(2-fluoroanilino)-N-(2-methylbut-3-yn-2-yl)pyridine-3-carboxamide
CID 90093021
N-(1-amino-4,4-dimethylpentan-3-yl)-2-hydroxy-3-methylbenzamide
CID 106357259
1-cyclopentyl-3-(2-hydroxy-3-methylphenyl)propane-1,3-dione
CID 14650432
3-amino-4-methyl-N-(2-methylbut-3-yn-2-yl)benzamide
CID 63999081

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide?
The IUPAC name of 2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide (CID 63999734) is 2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide is C#CC(C)(C)NC(=O)c1cccc(C)c1O.
What is the InChIKey of 2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide?
The InChIKey is SMPZPQJSUHOQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-5-13(3,4)14-12(16)10-8-6-7-9(2)11(10)15/h1,6-8,15H,2-4H3,(H,14,16).
What are the key properties of 2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide?
2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide has a molecular weight of 217.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methyl-N-(2-methylbut-3-yn-2-yl)benzamide is sourced from PubChem (CID 63999734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).