N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide

C11H14N2O3 — CID 107725203

IUPACN-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(O)ccc1O)C1CNC1
InChIInChI=1S/C11H14N2O3/c1-13(7-5-12-6-7)11(16)9-4-8(14)2-3-10(9)15/h2-4,7,12,14-15H,5-6H2,1H3
InChIKeyJWHPXKDEJHHOGY-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.14
Rot. Bonds2

About N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide

N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide (PubChem CID 107725203) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide
PubChem CID107725203
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC NameN-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide
SMILESCN(C(=O)c1cc(O)ccc1O)C1CNC1
InChIInChI=1S/C11H14N2O3/c1-13(7-5-12-6-7)11(16)9-4-8(14)2-3-10(9)15/h2-4,7,12,14-15H,5-6H2,1H3
InChIKeyJWHPXKDEJHHOGY-UHFFFAOYSA-N
XLogP0.14
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-2,5-dihydroxy-N-methylbenzamide
CID 107722324
2-hydroxy-5-iodo-N-methyl-N-pyrrolidin-3-ylbenzamide
CID 107732093
N-[4-(ethylamino)cyclohexyl]-2,5-dihydroxy-N-methylbenzamide
CID 107721216
2-hydroxy-5-iodo-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 103606106
N-cyclopropyl-4-hydroxy-N,2-dimethylbenzamide
CID 103863729
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,4-dihydroxy-N-methylbenzamide
CID 61232206
N-cycloheptyl-2-hydroxy-N,5-dimethylbenzamide
CID 43409240
N-(azepan-4-yl)-5-chloro-2-hydroxy-N-methylbenzamide
CID 107172538
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-hydroxy-N,5-dimethylbenzamide
CID 61233345
N-cyclopropyl-2-fluoro-4-hydroxy-N-methylbenzamide
CID 103940160
2-hydroxy-5-iodo-N-methyl-N-(oxolan-3-yl)benzamide
CID 113258754
2,5-dihydroxy-N-methyl-N-phenylbenzamide
CID 113347039

Frequently Asked Questions

What is the IUPAC name of N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide?
The IUPAC name of N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide (CID 107725203) is N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide is CN(C(=O)c1cc(O)ccc1O)C1CNC1.
What is the InChIKey of N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide?
The InChIKey is JWHPXKDEJHHOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13(7-5-12-6-7)11(16)9-4-8(14)2-3-10(9)15/h2-4,7,12,14-15H,5-6H2,1H3.
What are the key properties of N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide?
N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide has a molecular weight of 222.24 g/mol, XLogP of 0.14, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azetidin-3-yl)-2,5-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 107725203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).