2-hydroxy-N,3,6-trimethylbenzamide

C10H13NO2 — CID 89102657

IUPAC2-hydroxy-N,3,6-trimethylbenzamide
SMILESCNC(=O)c1c(C)ccc(C)c1O
InChIInChI=1S/C10H13NO2/c1-6-4-5-7(2)9(12)8(6)10(13)11-3/h4-5,12H,1-3H3,(H,11,13)
InChIKeyGRTKPGPDYWWDMS-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.37
Rot. Bonds1

About 2-hydroxy-N,3,6-trimethylbenzamide

2-hydroxy-N,3,6-trimethylbenzamide (PubChem CID 89102657) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-hydroxy-N,3,6-trimethylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N,3,6-trimethylbenzamide
PubChem CID89102657
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name2-hydroxy-N,3,6-trimethylbenzamide
SMILESCNC(=O)c1c(C)ccc(C)c1O
InChIInChI=1S/C10H13NO2/c1-6-4-5-7(2)9(12)8(6)10(13)11-3/h4-5,12H,1-3H3,(H,11,13)
InChIKeyGRTKPGPDYWWDMS-UHFFFAOYSA-N
XLogP1.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-3,6-dimethylbenzamide
CID 82266966
3-amino-2-formyl-N,6-dimethylbenzamide
CID 143370207
2-fluoro-3-methoxy-N,6-dimethylbenzamide
CID 143990070
3-hydroxy-4-methylphthalic acid
CID 139814560
2,4-dihydroxy-N,6-dimethyl-3-(3-methylcyclohex-2-en-1-yl)benzamide
CID 156715882
N,5,6-trimethylpyridine-2-carboxamide
CID 131113985
N,4-dimethylnaphthalene-1-carboxamide
CID 90054861
1-N,5-N,2,4,6-pentamethyl-3-N-(4-methylphenyl)benzene-1,3,5-tricarboxamide
CID 146600216
N,2,4-trimethyl-6-oxo-1H-pyridine-3-carboxamide
CID 101452764
3-fluoro-2-hydroxy-6-methylbenzoic acid
CID 64855766
dimethyl 3-hydroxy-6-methylbenzene-1,2-dicarboxylate
CID 14671429
aluminum tris(2,3,6-trimethylbenzoate)
CID 22604250

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N,3,6-trimethylbenzamide?
The IUPAC name of 2-hydroxy-N,3,6-trimethylbenzamide (CID 89102657) is 2-hydroxy-N,3,6-trimethylbenzamide.
What is the SMILES notation for 2-hydroxy-N,3,6-trimethylbenzamide?
The canonical SMILES for 2-hydroxy-N,3,6-trimethylbenzamide is CNC(=O)c1c(C)ccc(C)c1O.
What is the InChIKey of 2-hydroxy-N,3,6-trimethylbenzamide?
The InChIKey is GRTKPGPDYWWDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-6-4-5-7(2)9(12)8(6)10(13)11-3/h4-5,12H,1-3H3,(H,11,13).
What are the key properties of 2-hydroxy-N,3,6-trimethylbenzamide?
2-hydroxy-N,3,6-trimethylbenzamide has a molecular weight of 179.22 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N,3,6-trimethylbenzamide is sourced from PubChem (CID 89102657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).