2,4-dihydroxy-N-(oxan-3-yl)benzamide

C12H15NO4 — CID 113232786

IUPAC2,4-dihydroxy-N-(oxan-3-yl)benzamide
SMILESO=C(NC1CCCOC1)c1ccc(O)cc1O
InChIInChI=1S/C12H15NO4/c14-9-3-4-10(11(15)6-9)12(16)13-8-2-1-5-17-7-8/h3-4,6,8,14-15H,1-2,5,7H2,(H,13,16)
InChIKeySGPRQDBHZFFTOC-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.01
Rot. Bonds2

About 2,4-dihydroxy-N-(oxan-3-yl)benzamide

2,4-dihydroxy-N-(oxan-3-yl)benzamide (PubChem CID 113232786) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 2,4-dihydroxy-N-(oxan-3-yl)benzamide.

Molecular Properties

Compound Name2,4-dihydroxy-N-(oxan-3-yl)benzamide
PubChem CID113232786
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name2,4-dihydroxy-N-(oxan-3-yl)benzamide
SMILESO=C(NC1CCCOC1)c1ccc(O)cc1O
InChIInChI=1S/C12H15NO4/c14-9-3-4-10(11(15)6-9)12(16)13-8-2-1-5-17-7-8/h3-4,6,8,14-15H,1-2,5,7H2,(H,13,16)
InChIKeySGPRQDBHZFFTOC-UHFFFAOYSA-N
XLogP1.01
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide
CID 102741811
3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide
CID 82829580
3,5-dihydroxy-N-(oxan-3-yl)benzamide
CID 103941335
2,4-dihydroxy-N-(3-methylcyclohexyl)benzamide
CID 103612467
N-(4-chlorocyclohexyl)-2,4-dihydroxybenzamide
CID 107725924
2,4-dihydroxy-N-(4-oxocyclohexyl)benzamide
CID 107722193
2-chloro-N-(oxan-3-yl)furan-3-carboxamide
CID 130173637
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
CID 43610298
N-[(3S)-oxan-3-yl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 129396964
4-fluoro-2-hydroxy-N-(oxetan-3-yl)benzamide
CID 107015702
2,4-dihydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 62366802

Frequently Asked Questions

What is the IUPAC name of 2,4-dihydroxy-N-(oxan-3-yl)benzamide?
The IUPAC name of 2,4-dihydroxy-N-(oxan-3-yl)benzamide (CID 113232786) is 2,4-dihydroxy-N-(oxan-3-yl)benzamide.
What is the SMILES notation for 2,4-dihydroxy-N-(oxan-3-yl)benzamide?
The canonical SMILES for 2,4-dihydroxy-N-(oxan-3-yl)benzamide is O=C(NC1CCCOC1)c1ccc(O)cc1O.
What is the InChIKey of 2,4-dihydroxy-N-(oxan-3-yl)benzamide?
The InChIKey is SGPRQDBHZFFTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-9-3-4-10(11(15)6-9)12(16)13-8-2-1-5-17-7-8/h3-4,6,8,14-15H,1-2,5,7H2,(H,13,16).
What are the key properties of 2,4-dihydroxy-N-(oxan-3-yl)benzamide?
2,4-dihydroxy-N-(oxan-3-yl)benzamide has a molecular weight of 237.25 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxy-N-(oxan-3-yl)benzamide is sourced from PubChem (CID 113232786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).