2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide

C13H19NO3 — CID 64556210

IUPAC2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
SMILESCCC(C)(CO)NC(=O)c1cc(C)ccc1O
InChIInChI=1S/C13H19NO3/c1-4-13(3,8-15)14-12(17)10-7-9(2)5-6-11(10)16/h5-7,15-16H,4,8H2,1-3H3,(H,14,17)
InChIKeyWEMPEOCKNICMSW-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.59
Rot. Bonds4

About 2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide

2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide (PubChem CID 64556210) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
PubChem CID64556210
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
SMILESCCC(C)(CO)NC(=O)c1cc(C)ccc1O
InChIInChI=1S/C13H19NO3/c1-4-13(3,8-15)14-12(17)10-7-9(2)5-6-11(10)16/h5-7,15-16H,4,8H2,1-3H3,(H,14,17)
InChIKeyWEMPEOCKNICMSW-UHFFFAOYSA-N
XLogP1.59
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide?
The IUPAC name of 2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide (CID 64556210) is 2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide.
What is the SMILES notation for 2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide?
The canonical SMILES for 2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide is CCC(C)(CO)NC(=O)c1cc(C)ccc1O.
What is the InChIKey of 2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide?
The InChIKey is WEMPEOCKNICMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-13(3,8-15)14-12(17)10-7-9(2)5-6-11(10)16/h5-7,15-16H,4,8H2,1-3H3,(H,14,17).
What are the key properties of 2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide?
2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide has a molecular weight of 237.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide is sourced from PubChem (CID 64556210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).