N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide

C14H21NO2 — CID 113346953

IUPACN-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(C)(C)C(C)O)c1C
InChIInChI=1S/C14H21NO2/c1-9-7-6-8-12(10(9)2)13(17)15-14(4,5)11(3)16/h6-8,11,16H,1-5H3,(H,15,17)
InChIKeyNZTKERMVQHPGFK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.19
Rot. Bonds3

About N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide

N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide (PubChem CID 113346953) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide.

Molecular Properties

Compound NameN-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide
PubChem CID113346953
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide
SMILESCc1cccc(C(=O)NC(C)(C)C(C)O)c1C
InChIInChI=1S/C14H21NO2/c1-9-7-6-8-12(10(9)2)13(17)15-14(4,5)11(3)16/h6-8,11,16H,1-5H3,(H,15,17)
InChIKeyNZTKERMVQHPGFK-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-N-(2-phenylpropan-2-yl)benzamide
CID 47444747
N-(1-hydroxy-2-phenylpropan-2-yl)-2,3-dimethylbenzamide
CID 105058775
N-[(3S)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide
CID 97254550
N-[(3R)-3-hydroxy-2-methylbutan-2-yl]-2,3-dimethoxybenzamide
CID 97254551
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-2,3-dimethylbenzamide
CID 113346912
ethane;N,2,3-trimethylbenzamide
CID 178108869
2,3-dimethylbenzohydrazide
CID 16790549
N-but-3-yn-2-yl-2,3-dimethylbenzamide
CID 114389941
2,3-dimethyl-N-pentan-2-ylbenzamide
CID 71253299
N-(1-chloropropan-2-yl)-2,3-dimethylbenzamide
CID 114299454
N-(1-cyanoethyl)-2,3-dimethylbenzamide
CID 61121435
N-(1-aminopropan-2-yl)-2,3-dimethylbenzamide
CID 63731328

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide?
The IUPAC name of N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide (CID 113346953) is N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide.
What is the SMILES notation for N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide?
The canonical SMILES for N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide is Cc1cccc(C(=O)NC(C)(C)C(C)O)c1C.
What is the InChIKey of N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide?
The InChIKey is NZTKERMVQHPGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-9-7-6-8-12(10(9)2)13(17)15-14(4,5)11(3)16/h6-8,11,16H,1-5H3,(H,15,17).
What are the key properties of N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide?
N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2-methylbutan-2-yl)-2,3-dimethylbenzamide is sourced from PubChem (CID 113346953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).