N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide

C15H23NO3 — CID 110003023

IUPACN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO3/c1-11-5-6-13(9-12(11)2)14(18)16-15(3,7-8-17)10-19-4/h5-6,9,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyHYVWXMKXJUCXQJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.82
Rot. Bonds6

About N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide

N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide (PubChem CID 110003023) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide
PubChem CID110003023
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC NameN-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide
SMILESCOCC(C)(CCO)NC(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C15H23NO3/c1-11-5-6-13(9-12(11)2)14(18)16-15(3,7-8-17)10-19-4/h5-6,9,17H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyHYVWXMKXJUCXQJ-UHFFFAOYSA-N
XLogP1.82
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 110002811
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)naphthalene-2-carboxamide
CID 110003171
4-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002940
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylpyridine-3-carboxamide
CID 110002826
3-hydroxy-N-(1-hydroxy-3-methylpentan-3-yl)-4-methylbenzamide
CID 103958358
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-methylthiophene-3-carboxamide
CID 110003125
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-5-methylthiophene-2-carboxamide
CID 110003162
N-(5-hydroxy-2,2-dimethylpentyl)-3,4-dimethylbenzamide
CID 103899541
5-(4-chlorophenyl)-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)pyridine-3-carboxamide
CID 110002777
2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-4-(4-methylphenyl)benzamide
CID 110002765
4-chloro-2-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110003172
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-1-methyl-5-phenylpyrrole-2-carboxamide
CID 110003040

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide?
The IUPAC name of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide (CID 110003023) is N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide is COCC(C)(CCO)NC(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide?
The InChIKey is HYVWXMKXJUCXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11-5-6-13(9-12(11)2)14(18)16-15(3,7-8-17)10-19-4/h5-6,9,17H,7-8,10H2,1-4H3,(H,16,18).
What are the key properties of N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide?
N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide has a molecular weight of 265.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)-3,4-dimethylbenzamide is sourced from PubChem (CID 110003023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).