2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide

C14H21NO3 — CID 103933318

IUPAC2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)C(C)(C)O)c(O)c1
InChIInChI=1S/C14H21NO3/c1-9-6-7-10(11(16)8-9)12(17)15-13(2,3)14(4,5)18/h6-8,16,18H,1-5H3,(H,15,17)
InChIKeyCKOIWBBVXVDNGH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.98
Rot. Bonds3

About 2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide

2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide (PubChem CID 103933318) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
PubChem CID103933318
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NC(C)(C)C(C)(C)O)c(O)c1
InChIInChI=1S/C14H21NO3/c1-9-6-7-10(11(16)8-9)12(17)15-13(2,3)14(4,5)18/h6-8,16,18H,1-5H3,(H,15,17)
InChIKeyCKOIWBBVXVDNGH-UHFFFAOYSA-N
XLogP1.98
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-5-methylbenzamide
CID 103895431
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-hydroxy-4-methylbenzamide
CID 104579469
2-hydroxy-4-methyl-N-[(2-methylpropan-2-yl)oxy]benzamide
CID 82723944
2-[(2-hydroxy-4-methylbenzoyl)amino]-2-methylpentanoic acid
CID 43618664
N-(3-amino-2,2-dimethylpropyl)-2-hydroxy-4-methylbenzamide
CID 115365709
N-(2,2-dimethylbutyl)-2-hydroxy-4-methylbenzamide
CID 103462004
2-hydroxy-N-(2-methoxy-2-methylpropyl)-4-methylbenzamide
CID 113245894
2-hydroxy-1-(2-hydroxy-4-methylphenyl)ethanone
CID 68538226
2-[(2-hydroxy-4-methylbenzoyl)amino]propanoic acid
CID 24700633
2-hydroxy-N-(2-iodophenyl)-4-methylbenzamide
CID 28881646
2-[[2-[(2-hydroxy-4-methylbenzoyl)amino]acetyl]amino]acetic acid
CID 43465546
5-amino-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2,4-dimethylbenzamide
CID 106180016

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide?
The IUPAC name of 2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide (CID 103933318) is 2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide is Cc1ccc(C(=O)NC(C)(C)C(C)(C)O)c(O)c1.
What is the InChIKey of 2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide?
The InChIKey is CKOIWBBVXVDNGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9-6-7-10(11(16)8-9)12(17)15-13(2,3)14(4,5)18/h6-8,16,18H,1-5H3,(H,15,17).
What are the key properties of 2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide?
2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide has a molecular weight of 251.33 g/mol, XLogP of 1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 103933318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).