2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide

C12H17NO4 — CID 103749107

IUPAC2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1c(O)cccc1O
InChIInChI=1S/C12H17NO4/c1-12(2,17)7-13(3)11(16)10-8(14)5-4-6-9(10)15/h4-6,14-15,17H,7H2,1-3H3
InChIKeySENHYJDFYYRGBS-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.94
Rot. Bonds3

About 2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide

2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide (PubChem CID 103749107) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide.

Molecular Properties

Compound Name2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
PubChem CID103749107
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
SMILESCN(CC(C)(C)O)C(=O)c1c(O)cccc1O
InChIInChI=1S/C12H17NO4/c1-12(2,17)7-13(3)11(16)10-8(14)5-4-6-9(10)15/h4-6,14-15,17H,7H2,1-3H3
InChIKeySENHYJDFYYRGBS-UHFFFAOYSA-N
XLogP0.94
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 104919951
N-(2-hydroxy-2-methylpropyl)-N,2,6-trimethylbenzamide
CID 113258432
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
2-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-3,6-dimethylbenzoic acid
CID 103429166
N-(2-hydroxy-2-methylpropyl)-N,6-dimethylpyridine-2-carboxamide
CID 79290588
2,3,4,5,6-pentafluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79382052
3-amino-2-bromo-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 113367038
tert-butyl 3-[(2,6-dihydroxybenzoyl)-methylamino]propanoate
CID 122149686
N-(2-aminopropyl)-2,6-dihydroxy-N-methylbenzamide
CID 107691371
N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-3-carboxamide
CID 79290970
2,6-dihydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107329756
2,6-dihydroxy-N-[(2-methoxyphenyl)methyl]-N-methylbenzamide
CID 103748911

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The IUPAC name of 2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide (CID 103749107) is 2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide.
What is the SMILES notation for 2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The canonical SMILES for 2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide is CN(CC(C)(C)O)C(=O)c1c(O)cccc1O.
What is the InChIKey of 2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
The InChIKey is SENHYJDFYYRGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(2,17)7-13(3)11(16)10-8(14)5-4-6-9(10)15/h4-6,14-15,17H,7H2,1-3H3.
What are the key properties of 2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide?
2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide has a molecular weight of 239.27 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide is sourced from PubChem (CID 103749107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).