2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide

C13H19NO2 — CID 837229

IUPAC2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C13H19NO2/c1-4-10(5-2)13(16)14-11-7-6-9(3)12(15)8-11/h6-8,10,15H,4-5H2,1-3H3,(H,14,16)
InChIKeyAAEYGEZFRUBYFH-UHFFFAOYSA-N
MW221.30 g/mol
LogP3.08
Rot. Bonds4

About 2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide

2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide (PubChem CID 837229) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide
PubChem CID837229
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide
SMILESCCC(CC)C(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C13H19NO2/c1-4-10(5-2)13(16)14-11-7-6-9(3)12(15)8-11/h6-8,10,15H,4-5H2,1-3H3,(H,14,16)
InChIKeyAAEYGEZFRUBYFH-UHFFFAOYSA-N
XLogP3.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide?
The IUPAC name of 2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide (CID 837229) is 2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide.
What is the SMILES notation for 2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide?
The canonical SMILES for 2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide is CCC(CC)C(=O)Nc1ccc(C)c(O)c1.
What is the InChIKey of 2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide?
The InChIKey is AAEYGEZFRUBYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-4-10(5-2)13(16)14-11-7-6-9(3)12(15)8-11/h6-8,10,15H,4-5H2,1-3H3,(H,14,16).
What are the key properties of 2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide?
2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide has a molecular weight of 221.30 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-hydroxy-4-methylphenyl)butanamide is sourced from PubChem (CID 837229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).