5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

C13H19NO3 — CID 110000952

IUPAC5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCCc1ccc(O)c(C(=O)NC(C)(C)CO)c1
InChIInChI=1S/C13H19NO3/c1-4-9-5-6-11(16)10(7-9)12(17)14-13(2,3)8-15/h5-7,15-16H,4,8H2,1-3H3,(H,14,17)
InChIKeyVITRGUOPWOGZMO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.46
Rot. Bonds4

About 5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide

5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (PubChem CID 110000952) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
PubChem CID110000952
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
SMILESCCc1ccc(O)c(C(=O)NC(C)(C)CO)c1
InChIInChI=1S/C13H19NO3/c1-4-9-5-6-11(16)10(7-9)12(17)14-13(2,3)8-15/h5-7,15-16H,4,8H2,1-3H3,(H,14,17)
InChIKeyVITRGUOPWOGZMO-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The IUPAC name of 5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide (CID 110000952) is 5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is CCc1ccc(O)c(C(=O)NC(C)(C)CO)c1.
What is the InChIKey of 5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
The InChIKey is VITRGUOPWOGZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-9-5-6-11(16)10(7-9)12(17)14-13(2,3)8-15/h5-7,15-16H,4,8H2,1-3H3,(H,14,17).
What are the key properties of 5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide?
5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide has a molecular weight of 237.30 g/mol, XLogP of 1.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 110000952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).