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

C12H17NO3 — CID 103920351

IUPAC2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
SMILESCC[C@H](CO)NC(=O)c1cc(C)ccc1O
InChIInChI=1S/C12H17NO3/c1-3-9(7-14)13-12(16)10-6-8(2)4-5-11(10)15/h4-6,9,14-15H,3,7H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyQDIKWRFQBAZQCK-SECBINFHSA-N
MW223.27 g/mol
LogP1.20
Rot. Bonds4

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

2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide (PubChem CID 103920351) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
PubChem CID103920351
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
SMILESCC[C@H](CO)NC(=O)c1cc(C)ccc1O
InChIInChI=1S/C12H17NO3/c1-3-9(7-14)13-12(16)10-6-8(2)4-5-11(10)15/h4-6,9,14-15H,3,7H2,1-2H3,(H,13,16)/t9-/m1/s1
InChIKeyQDIKWRFQBAZQCK-SECBINFHSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-5-methyl-N-(1-methylsulfanylbutan-2-yl)benzamide
CID 113351023
2-amino-N-[(2S)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 107211525
2-fluoro-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide
CID 103919965
2-hydroxy-N-[(2R)-1-hydroxypropan-2-yl]-5-methylbenzamide
CID 79030607
4-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-3-methylbenzamide
CID 103958340
2-hydroxy-5-methyl-N-(3-methylbutan-2-yl)benzamide
CID 43084907
5-bromo-2-hydroxy-N-pentan-3-ylbenzamide
CID 103600405
2-hydroxy-5-methyl-N-(4-methylpentan-2-yl)benzamide
CID 43372458
(2R)-2-[(2-hydroxy-5-methylbenzoyl)amino]pentanoic acid
CID 107563235
2-hydroxy-5-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 115636004
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 113233078
N-(4-bromobutan-2-yl)-2-hydroxy-5-methylbenzamide
CID 83180515

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide?
The IUPAC name of 2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide (CID 103920351) is 2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide is CC[C@H](CO)NC(=O)c1cc(C)ccc1O.
What is the InChIKey of 2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide?
The InChIKey is QDIKWRFQBAZQCK-SECBINFHSA-N. The full InChI is InChI=1S/C12H17NO3/c1-3-9(7-14)13-12(16)10-6-8(2)4-5-11(10)15/h4-6,9,14-15H,3,7H2,1-2H3,(H,13,16)/t9-/m1/s1.
What are the key properties of 2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide?
2-hydroxy-N-[(2R)-1-hydroxybutan-2-yl]-5-methylbenzamide has a molecular weight of 223.27 g/mol, XLogP of 1.20, 4 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-hydroxybutan-2-yl]-5-methylbenzamide is sourced from PubChem (CID 103920351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).