N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide

C13H19NO3 — CID 82828956

IUPACN-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
SMILESCCOCC(C)NC(=O)c1cccc(O)c1C
InChIInChI=1S/C13H19NO3/c1-4-17-8-9(2)14-13(16)11-6-5-7-12(15)10(11)3/h5-7,9,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyDRLOEVJJIQUOMA-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.86
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide

N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide (PubChem CID 82828956) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
PubChem CID82828956
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC NameN-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
SMILESCCOCC(C)NC(=O)c1cccc(O)c1C
InChIInChI=1S/C13H19NO3/c1-4-17-8-9(2)14-13(16)11-6-5-7-12(15)10(11)3/h5-7,9,15H,4,8H2,1-3H3,(H,14,16)
InChIKeyDRLOEVJJIQUOMA-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 82829211
3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 82839881
N-(1-ethoxypropan-2-yl)-2-iodobenzamide
CID 47903574
N-(1-ethoxypropan-2-yl)-2-(methylamino)pyridine-3-carboxamide
CID 62174214
3-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 82829372
N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
N-(1-ethoxypropan-2-yl)-2-hydroxy-4-methoxybenzamide
CID 47931232
3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide
CID 82786626
N-(1-ethoxypropan-2-yl)-2-[2-(methylamino)ethyl]benzamide
CID 104547790
3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 103274844
N-(1-ethoxypropan-2-yl)-2-methyl-5-sulfanylbenzamide
CID 107027091
3-hydroxy-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 82828949

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide?
The IUPAC name of N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide (CID 82828956) is N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide is CCOCC(C)NC(=O)c1cccc(O)c1C.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide?
The InChIKey is DRLOEVJJIQUOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-17-8-9(2)14-13(16)11-6-5-7-12(15)10(11)3/h5-7,9,15H,4,8H2,1-3H3,(H,14,16).
What are the key properties of N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide?
N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide is sourced from PubChem (CID 82828956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).