N-butan-2-yl-2-hydroxy-3-methylbenzamide

C12H17NO2 — CID 43176510

IUPACN-butan-2-yl-2-hydroxy-3-methylbenzamide
SMILESCCC(C)NC(=O)c1cccc(C)c1O
InChIInChI=1S/C12H17NO2/c1-4-9(3)13-12(15)10-7-5-6-8(2)11(10)14/h5-7,9,14H,4H2,1-3H3,(H,13,15)
InChIKeyDEBDSOQREAYEPJ-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.23
Rot. Bonds3

About N-butan-2-yl-2-hydroxy-3-methylbenzamide

N-butan-2-yl-2-hydroxy-3-methylbenzamide (PubChem CID 43176510) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-butan-2-yl-2-hydroxy-3-methylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-2-hydroxy-3-methylbenzamide
PubChem CID43176510
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-butan-2-yl-2-hydroxy-3-methylbenzamide
SMILESCCC(C)NC(=O)c1cccc(C)c1O
InChIInChI=1S/C12H17NO2/c1-4-9(3)13-12(15)10-7-5-6-8(2)11(10)14/h5-7,9,14H,4H2,1-3H3,(H,13,15)
InChIKeyDEBDSOQREAYEPJ-UHFFFAOYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-amino-4-oxobutan-2-yl)-2-hydroxy-3-methylbenzamide
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2-hydroxy-3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 61217194
2-[(2-hydroxy-3-methylbenzoyl)amino]propanoic acid
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N-[1-(ethylamino)-1-oxopropan-2-yl]-2-hydroxy-3-methylbenzamide
CID 60682442
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-hydroxy-3-methylbenzamide
CID 61119089
N-hex-5-yn-3-yl-2-hydroxy-3-methylbenzamide
CID 113241222
2,3-dimethyl-N-pentan-2-ylbenzamide
CID 71253299
N-butan-2-yl-2-iodobenzamide
CID 3344108
N-[2-[[(2R)-butan-2-yl]carbamoyl]phenyl]-2,4,5-trimethylbenzamide
CID 100708807
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
N-butan-2-yl-2-[2-(2,6-dimethylphenoxy)propanoylamino]benzamide
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N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-hydroxy-3-methylbenzamide?
The IUPAC name of N-butan-2-yl-2-hydroxy-3-methylbenzamide (CID 43176510) is N-butan-2-yl-2-hydroxy-3-methylbenzamide.
What is the SMILES notation for N-butan-2-yl-2-hydroxy-3-methylbenzamide?
The canonical SMILES for N-butan-2-yl-2-hydroxy-3-methylbenzamide is CCC(C)NC(=O)c1cccc(C)c1O.
What is the InChIKey of N-butan-2-yl-2-hydroxy-3-methylbenzamide?
The InChIKey is DEBDSOQREAYEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-4-9(3)13-12(15)10-7-5-6-8(2)11(10)14/h5-7,9,14H,4H2,1-3H3,(H,13,15).
What are the key properties of N-butan-2-yl-2-hydroxy-3-methylbenzamide?
N-butan-2-yl-2-hydroxy-3-methylbenzamide has a molecular weight of 207.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-hydroxy-3-methylbenzamide is sourced from PubChem (CID 43176510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).