3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide

C13H17NO3 — CID 82829580

IUPAC3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide
SMILESCc1c(O)cccc1C(=O)NC1CCCOC1
InChIInChI=1S/C13H17NO3/c1-9-11(5-2-6-12(9)15)13(16)14-10-4-3-7-17-8-10/h2,5-6,10,15H,3-4,7-8H2,1H3,(H,14,16)
InChIKeyRWQWQMRHUCAVFF-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.61
Rot. Bonds2

About 3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide

3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide (PubChem CID 82829580) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide
PubChem CID82829580
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide
SMILESCc1c(O)cccc1C(=O)NC1CCCOC1
InChIInChI=1S/C13H17NO3/c1-9-11(5-2-6-12(9)15)13(16)14-10-4-3-7-17-8-10/h2,5-6,10,15H,3-4,7-8H2,1H3,(H,14,16)
InChIKeyRWQWQMRHUCAVFF-UHFFFAOYSA-N
XLogP1.61
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
3-[2-methyl-3-(oxan-3-ylcarbamoyl)phenyl]prop-2-enoic acid
CID 77073001
2,4-dihydroxy-N-(oxan-3-yl)benzamide
CID 113232786
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
3-chloro-2-nitro-N-(oxan-3-yl)benzamide
CID 79831055
3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82829597
2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
CID 136520781
2-chloro-N-(oxan-3-yl)furan-3-carboxamide
CID 130173637
2-hydroxy-5-methyl-N-(oxolan-3-yl)benzamide
CID 80712573
3-chloro-2-methyl-N-(oxan-3-yl)-5-sulfamoylbenzamide
CID 107100983
2-bromo-N-(oxolan-3-yl)pyridine-3-carboxamide
CID 103839457

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide (CID 82829580) is 3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide is Cc1c(O)cccc1C(=O)NC1CCCOC1.
What is the InChIKey of 3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide?
The InChIKey is RWQWQMRHUCAVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-9-11(5-2-6-12(9)15)13(16)14-10-4-3-7-17-8-10/h2,5-6,10,15H,3-4,7-8H2,1H3,(H,14,16).
What are the key properties of 3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide?
3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide has a molecular weight of 235.28 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide is sourced from PubChem (CID 82829580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).