3,5-dihydroxy-N-(oxan-3-yl)benzamide

C12H15NO4 — CID 103941335

IUPAC3,5-dihydroxy-N-(oxan-3-yl)benzamide
SMILESO=C(NC1CCCOC1)c1cc(O)cc(O)c1
InChIInChI=1S/C12H15NO4/c14-10-4-8(5-11(15)6-10)12(16)13-9-2-1-3-17-7-9/h4-6,9,14-15H,1-3,7H2,(H,13,16)
InChIKeyGELRUQSFCDJICL-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.01
Rot. Bonds2

About 3,5-dihydroxy-N-(oxan-3-yl)benzamide

3,5-dihydroxy-N-(oxan-3-yl)benzamide (PubChem CID 103941335) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(oxan-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(oxan-3-yl)benzamide
PubChem CID103941335
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3,5-dihydroxy-N-(oxan-3-yl)benzamide
SMILESO=C(NC1CCCOC1)c1cc(O)cc(O)c1
InChIInChI=1S/C12H15NO4/c14-10-4-8(5-11(15)6-10)12(16)13-9-2-1-3-17-7-9/h4-6,9,14-15H,1-3,7H2,(H,13,16)
InChIKeyGELRUQSFCDJICL-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

2,4-dihydroxy-N-(oxan-3-yl)benzamide
CID 113232786
2-amino-6-chloro-N-(oxan-3-yl)pyridine-4-carboxamide
CID 55190561
4-hydroxy-N-(oxolan-3-yl)benzamide
CID 80713158
3,5-difluoro-N-(oxan-3-yl)-4-(propylamino)benzamide
CID 63362445
4-bromo-3-chloro-N-(oxan-3-yl)benzamide
CID 81004514
N-(oxan-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 63361586
4-(N'-hydroxycarbamimidoyl)-N-(oxan-3-yl)benzamide
CID 76995462
1-methyl-N-(oxan-3-yl)-2-oxopyridine-4-carboxamide
CID 113232784
4-bromo-3-fluoro-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 65389059
4-amino-N-(oxan-3-yl)-3-(trifluoromethyl)benzamide
CID 63362160
5-hydroxy-2-nitro-N-(oxan-3-yl)benzamide
CID 102741811
N-(azepan-3-yl)-3,5-dihydroxybenzamide
CID 107704994

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(oxan-3-yl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(oxan-3-yl)benzamide (CID 103941335) is 3,5-dihydroxy-N-(oxan-3-yl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(oxan-3-yl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(oxan-3-yl)benzamide is O=C(NC1CCCOC1)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-(oxan-3-yl)benzamide?
The InChIKey is GELRUQSFCDJICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-10-4-8(5-11(15)6-10)12(16)13-9-2-1-3-17-7-9/h4-6,9,14-15H,1-3,7H2,(H,13,16).
What are the key properties of 3,5-dihydroxy-N-(oxan-3-yl)benzamide?
3,5-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 3,5-dihydroxy-N-(oxan-3-yl)benzamide is sourced from PubChem (CID 103941335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).