3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide

C12H15NO4 — CID 103892243

IUPAC3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
SMILESO=C(NCC1CCOC1)c1cc(O)cc(O)c1
InChIInChI=1S/C12H15NO4/c14-10-3-9(4-11(15)5-10)12(16)13-6-8-1-2-17-7-8/h3-5,8,14-15H,1-2,6-7H2,(H,13,16)
InChIKeyUOUBDCAZBSXBGS-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.86
Rot. Bonds3

About 3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide

3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide (PubChem CID 103892243) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
PubChem CID103892243
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
SMILESO=C(NCC1CCOC1)c1cc(O)cc(O)c1
InChIInChI=1S/C12H15NO4/c14-10-3-9(4-11(15)5-10)12(16)13-6-8-1-2-17-7-8/h3-5,8,14-15H,1-2,6-7H2,(H,13,16)
InChIKeyUOUBDCAZBSXBGS-UHFFFAOYSA-N
XLogP0.86
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[[(3S)-oxan-3-yl]methyl]-5-(trifluoromethyl)benzamide
CID 125420338
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
3,4,5-trifluoro-N-(oxan-3-ylmethyl)benzamide
CID 55159260
2-chloro-6-ethyl-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 113379822
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
3,4,5-trifluoro-N-(oxan-4-ylmethyl)benzamide
CID 63235633
5-hydroxy-N-(oxolan-3-ylmethyl)-1H-indole-2-carboxamide
CID 167963637
3-methyl-N-(oxolan-3-ylmethyl)-4-(propylamino)benzamide
CID 63211762
4-(azepan-1-ylsulfonyl)-N-(oxolan-3-ylmethyl)benzamide
CID 55659470
4-chloro-N-(oxolan-3-ylmethyl)-3-sulfamoylbenzamide
CID 65388082
4-bromo-N-[[(3S)-oxolan-3-yl]methyl]-1H-pyrrole-2-carboxamide
CID 93318154

Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide?
The IUPAC name of 3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide (CID 103892243) is 3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide.
What is the SMILES notation for 3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide?
The canonical SMILES for 3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide is O=C(NCC1CCOC1)c1cc(O)cc(O)c1.
What is the InChIKey of 3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide?
The InChIKey is UOUBDCAZBSXBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO4/c14-10-3-9(4-11(15)5-10)12(16)13-6-8-1-2-17-7-8/h3-5,8,14-15H,1-2,6-7H2,(H,13,16).
What are the key properties of 3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide?
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide has a molecular weight of 237.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide is sourced from PubChem (CID 103892243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).