3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide

C11H15NO3 — CID 82829211

IUPAC3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)N[C@H](C)CO
InChIInChI=1S/C11H15NO3/c1-7(6-13)12-11(15)9-4-3-5-10(14)8(9)2/h3-5,7,13-14H,6H2,1-2H3,(H,12,15)/t7-/m1/s1
InChIKeyVQLMEWDBXXKALQ-SSDOTTSWSA-N
MW209.25 g/mol
LogP0.81
Rot. Bonds3

About 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide

3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide (PubChem CID 82829211) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
PubChem CID82829211
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
SMILESCc1c(O)cccc1C(=O)N[C@H](C)CO
InChIInChI=1S/C11H15NO3/c1-7(6-13)12-11(15)9-4-3-5-10(14)8(9)2/h3-5,7,13-14H,6H2,1-2H3,(H,12,15)/t7-/m1/s1
InChIKeyVQLMEWDBXXKALQ-SSDOTTSWSA-N
XLogP0.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 82839881
3-hydroxy-N-(5-hydroxypentan-2-yl)-2-methylbenzamide
CID 82829372
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 107097794
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
N-(1-ethoxypropan-2-yl)-3-hydroxy-2-methylbenzamide
CID 82828956
3-hydroxy-2-methyl-N-(3-methylbutan-2-yl)benzamide
CID 82786626
3-hydroxy-2-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 82828949
3-hydroxy-N-(1-iodo-3-methylbutan-2-yl)-2-methylbenzamide
CID 107859822
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]benzoic acid
CID 93366028
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
CID 79030607
N-[(2S)-1-hydroxypropan-2-yl]-2,6-dimethylbenzamide
CID 103820772
N-(1-chloropropan-2-yl)-2,3-dimethylbenzamide
CID 114299454

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide (CID 82829211) is 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide is Cc1c(O)cccc1C(=O)N[C@H](C)CO.
What is the InChIKey of 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide?
The InChIKey is VQLMEWDBXXKALQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7(6-13)12-11(15)9-4-3-5-10(14)8(9)2/h3-5,7,13-14H,6H2,1-2H3,(H,12,15)/t7-/m1/s1.
What are the key properties of 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide?
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide has a molecular weight of 209.25 g/mol, XLogP of 0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide is sourced from PubChem (CID 82829211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).