2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide

C11H15NO3 — CID 79030607

IUPAC2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)N[C@H](C)CO)c1
InChIInChI=1S/C11H15NO3/c1-7-3-4-10(14)9(5-7)11(15)12-8(2)6-13/h3-5,8,13-14H,6H2,1-2H3,(H,12,15)/t8-/m1/s1
InChIKeyVUENNRKRRDPZEQ-MRVPVSSYSA-N
MW209.25 g/mol
LogP0.81
Rot. Bonds3

About 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide

2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide (PubChem CID 79030607) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
PubChem CID79030607
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
SMILESCc1ccc(O)c(C(=O)N[C@H](C)CO)c1
InChIInChI=1S/C11H15NO3/c1-7-3-4-10(14)9(5-7)11(15)12-8(2)6-13/h3-5,8,13-14H,6H2,1-2H3,(H,12,15)/t8-/m1/s1
InChIKeyVUENNRKRRDPZEQ-MRVPVSSYSA-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

2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115636004
N-(4-bromobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 83180515
N-[4-(dimethylamino)butan-2-yl]-2-hydroxy-5-methylbenzamide
CID 54968038
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103920351
2-hydroxy-5-methyl-N-(4-phenylbutan-2-yl)benzamide
CID 42909032
N-[(2R)-1-hydroxypropan-2-yl]-5-methyl-2-nitrobenzamide
CID 79027526
N-(1-chloro-4-methylpentan-3-yl)-2-hydroxy-5-methylbenzamide
CID 114177673
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-2-methylbenzamide
CID 82829211
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 113233078
3-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-4-methylbenzamide
CID 79030846

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide (CID 79030607) is 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide is Cc1ccc(O)c(C(=O)N[C@H](C)CO)c1.
What is the InChIKey of 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide?
The InChIKey is VUENNRKRRDPZEQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-7-3-4-10(14)9(5-7)11(15)12-8(2)6-13/h3-5,8,13-14H,6H2,1-2H3,(H,12,15)/t8-/m1/s1.
What are the key properties of 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide?
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-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 2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide is sourced from PubChem (CID 79030607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).