N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide

C14H21NO2 — CID 64558339

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
SMILESCCC(C)(CO)NC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H21NO2/c1-5-14(4,9-16)15-13(17)12-7-10(2)6-11(3)8-12/h6-8,16H,5,9H2,1-4H3,(H,15,17)
InChIKeyARJXBEVGBIODBJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.19
Rot. Bonds4

About N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide

N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide (PubChem CID 64558339) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
PubChem CID64558339
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
SMILESCCC(C)(CO)NC(=O)c1cc(C)cc(C)c1
InChIInChI=1S/C14H21NO2/c1-5-14(4,9-16)15-13(17)12-7-10(2)6-11(3)8-12/h6-8,16H,5,9H2,1-4H3,(H,15,17)
InChIKeyARJXBEVGBIODBJ-UHFFFAOYSA-N
XLogP2.19
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

Analyze N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide
CID 64555976
N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-4-methoxy-3,5-dimethylbenzamide
CID 99821344
4-(hydroxymethyl)-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64558344
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549288
3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide
CID 64550324
N-(1-chloro-3-methylpentan-3-yl)-3-fluoro-5-methylbenzamide
CID 106168756
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64556210
5-bromo-N-(1-hydroxy-2-methylbutan-2-yl)thiophene-3-carboxamide
CID 64557581
(E)-3-[3-methyl-5-(3-methylpentan-3-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 106331153
3-bromo-N-[3-(hydroxymethyl)pentan-3-yl]-5-methylbenzamide
CID 104852638
N-(1-hydroxy-2-methylbutan-2-yl)-4-methoxybenzamide
CID 64557752

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide (CID 64558339) is N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide is CCC(C)(CO)NC(=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide?
The InChIKey is ARJXBEVGBIODBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-14(4,9-16)15-13(17)12-7-10(2)6-11(3)8-12/h6-8,16H,5,9H2,1-4H3,(H,15,17).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide?
N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide has a molecular weight of 235.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide is sourced from PubChem (CID 64558339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).