2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide

C11H15NO3 — CID 154452638

IUPAC2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide
SMILESC[C@H](CO)COc1ccccc1C(N)=O
InChIInChI=1S/C11H15NO3/c1-8(6-13)7-15-10-5-3-2-4-9(10)11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)/t8-/m1/s1
InChIKeyFQHNJQWNKMHFOS-MRVPVSSYSA-N
MW209.25 g/mol
LogP0.79
Rot. Bonds5

About 2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide

2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide (PubChem CID 154452638) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide.

Molecular Properties

Compound Name2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide
PubChem CID154452638
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide
SMILESC[C@H](CO)COc1ccccc1C(N)=O
InChIInChI=1S/C11H15NO3/c1-8(6-13)7-15-10-5-3-2-4-9(10)11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)/t8-/m1/s1
InChIKeyFQHNJQWNKMHFOS-MRVPVSSYSA-N
XLogP0.79
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide?
The IUPAC name of 2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide (CID 154452638) is 2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide.
What is the SMILES notation for 2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide?
The canonical SMILES for 2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide is C[C@H](CO)COc1ccccc1C(N)=O.
What is the InChIKey of 2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide?
The InChIKey is FQHNJQWNKMHFOS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(6-13)7-15-10-5-3-2-4-9(10)11(12)14/h2-5,8,13H,6-7H2,1H3,(H2,12,14)/t8-/m1/s1.
What are the key properties of 2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide?
2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide has a molecular weight of 209.25 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-3-hydroxy-2-methylpropoxy]benzamide is sourced from PubChem (CID 154452638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).