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

C13H17NO3 — CID 82829597

IUPAC3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1c(O)cccc1C(=O)NC1CCOC1C
InChIInChI=1S/C13H17NO3/c1-8-10(4-3-5-12(8)15)13(16)14-11-6-7-17-9(11)2/h3-5,9,11,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyMIMHOQJHMNGIKV-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.61
Rot. Bonds2

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

3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide (PubChem CID 82829597) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide
PubChem CID82829597
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide
SMILESCc1c(O)cccc1C(=O)NC1CCOC1C
InChIInChI=1S/C13H17NO3/c1-8-10(4-3-5-12(8)15)13(16)14-11-6-7-17-9(11)2/h3-5,9,11,15H,6-7H2,1-2H3,(H,14,16)
InChIKeyMIMHOQJHMNGIKV-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

2-iodo-N-(2-methyloxolan-3-yl)benzamide
CID 82728917
3-hydroxy-N-(2-methyloxolan-3-yl)naphthalene-2-carboxamide
CID 82728809
3-hydroxy-2-methyl-N-(2-methylcycloheptyl)benzamide
CID 82829354
2-[(3-hydroxy-2-methylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 82809247
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
N-(3-ethyl-2-methylcyclopentyl)-3-hydroxy-2-methylbenzamide
CID 82829272
5-methyl-2-(methylamino)-N-(2-methyloxolan-3-yl)benzamide
CID 82736309
N-(2-bicyclo[2.2.1]heptanyl)-3-hydroxy-2-methylbenzamide
CID 82829980
2-(ethylamino)-N-(2-methyloxolan-3-yl)pyridine-3-carboxamide
CID 82737205
2-fluoro-4-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82725770
4-amino-2-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 82726426
3-hydroxy-2-methyl-N-(oxan-3-yl)benzamide
CID 82829580

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide (CID 82829597) is 3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide is Cc1c(O)cccc1C(=O)NC1CCOC1C.
What is the InChIKey of 3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide?
The InChIKey is MIMHOQJHMNGIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-8-10(4-3-5-12(8)15)13(16)14-11-6-7-17-9(11)2/h3-5,9,11,15H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 3-hydroxy-2-methyl-N-(2-methyloxolan-3-yl)benzamide?
3-hydroxy-2-methyl-N-(2-methyloxolan-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-(2-methyloxolan-3-yl)benzamide is sourced from PubChem (CID 82829597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).