2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide

C13H19NO2 — CID 43084907

IUPAC2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCc1ccc(O)c(C(=O)NC(C)C(C)C)c1
InChIInChI=1S/C13H19NO2/c1-8(2)10(4)14-13(16)11-7-9(3)5-6-12(11)15/h5-8,10,15H,1-4H3,(H,14,16)
InChIKeyYXBFJVKUICYJIZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.47
Rot. Bonds3

About 2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide

2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide (PubChem CID 43084907) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
PubChem CID43084907
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
SMILESCc1ccc(O)c(C(=O)NC(C)C(C)C)c1
InChIInChI=1S/C13H19NO2/c1-8(2)10(4)14-13(16)11-7-9(3)5-6-12(11)15/h5-8,10,15H,1-4H3,(H,14,16)
InChIKeyYXBFJVKUICYJIZ-UHFFFAOYSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 113233078
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
CID 79030607
methyl 2-[(2-hydroxy-5-methylbenzoyl)amino]-3-methylbutanoate
CID 43386291
2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
2,4-dimethyl-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 94665510
N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 114177673
N-(4-bromobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 83180515
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115636004
N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide
CID 54968038
2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351
3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide
CID 82786626
2-[(2-hydroxy-5-methylbenzoyl)amino]hexanoic acid
CID 43469944

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide (CID 43084907) is 2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide is Cc1ccc(O)c(C(=O)NC(C)C(C)C)c1.
What is the InChIKey of 2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide?
The InChIKey is YXBFJVKUICYJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-8(2)10(4)14-13(16)11-7-9(3)5-6-12(11)15/h5-8,10,15H,1-4H3,(H,14,16).
What are the key properties of 2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide?
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide has a molecular weight of 221.30 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide is sourced from PubChem (CID 43084907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).