N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide

C15H23NO2 — CID 64555976

IUPACN-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide
SMILESCCC(C)(CO)NC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H23NO2/c1-6-15(5,9-17)16-14(18)13-11(3)7-10(2)8-12(13)4/h7-8,17H,6,9H2,1-5H3,(H,16,18)
InChIKeyAMOUONYPMLEUES-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.50
Rot. Bonds4

About N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide

N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide (PubChem CID 64555976) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide
PubChem CID64555976
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide
SMILESCCC(C)(CO)NC(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C15H23NO2/c1-6-15(5,9-17)16-14(18)13-11(3)7-10(2)8-12(13)4/h7-8,17H,6,9H2,1-5H3,(H,16,18)
InChIKeyAMOUONYPMLEUES-UHFFFAOYSA-N
XLogP2.50
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339
N-[3-(aminomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide
CID 63764973
N-[3-(bromomethyl)pentan-3-yl]-2,4,6-trimethylbenzamide
CID 114315150
N-(1-hydroxy-2-methylbutan-2-yl)-4,5-dimethylthiophene-2-carboxamide
CID 64556214
N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-4-methoxy-3,5-dimethylbenzamide
CID 99821344
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
4-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-2-methylbenzamide
CID 75519360
N-[1-(hydroxyamino)-2-methyl-1-oxopropan-2-yl]-2,4,6-trimethylbenzamide
CID 122228652
N-(1-amino-2-methylbutan-2-yl)-2,6-dimethylbenzamide
CID 114026640
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 64556229
3-ethyl-N-(1-hydroxy-2-methylbutan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 64557561

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide?
The IUPAC name of N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide (CID 64555976) is N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide.
What is the SMILES notation for N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide?
The canonical SMILES for N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide is CCC(C)(CO)NC(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide?
The InChIKey is AMOUONYPMLEUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-6-15(5,9-17)16-14(18)13-11(3)7-10(2)8-12(13)4/h7-8,17H,6,9H2,1-5H3,(H,16,18).
What are the key properties of N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide?
N-(1-hydroxy-2-methylbutan-2-yl)-2,4,6-trimethylbenzamide has a molecular weight of 249.35 g/mol, XLogP of 2.50, 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)-2,4,6-trimethylbenzamide is sourced from PubChem (CID 64555976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).