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

C15H23NO2 — CID 4987568

IUPAC2-ethyl-N-(3-hydroxy-4-methylphenyl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C15H23NO2/c1-4-6-7-12(5-2)15(18)16-13-9-8-11(3)14(17)10-13/h8-10,12,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyCVYDSMHOKYHPNH-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.86
Rot. Bonds6

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

2-ethyl-N-(3-hydroxy-4-methylphenyl)hexanamide (PubChem CID 4987568) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-ethyl-N-(3-hydroxy-4-methylphenyl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N-(3-hydroxy-4-methylphenyl)hexanamide
PubChem CID4987568
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-ethyl-N-(3-hydroxy-4-methylphenyl)hexanamide
SMILESCCCCC(CC)C(=O)Nc1ccc(C)c(O)c1
InChIInChI=1S/C15H23NO2/c1-4-6-7-12(5-2)15(18)16-13-9-8-11(3)14(17)10-13/h8-10,12,17H,4-7H2,1-3H3,(H,16,18)
InChIKeyCVYDSMHOKYHPNH-UHFFFAOYSA-N
XLogP3.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.86
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)hexanamide?
The IUPAC name of 2-ethyl-N-(3-hydroxy-4-methylphenyl)hexanamide (CID 4987568) is 2-ethyl-N-(3-hydroxy-4-methylphenyl)hexanamide.
What is the SMILES notation for 2-ethyl-N-(3-hydroxy-4-methylphenyl)hexanamide?
The canonical SMILES for 2-ethyl-N-(3-hydroxy-4-methylphenyl)hexanamide is CCCCC(CC)C(=O)Nc1ccc(C)c(O)c1.
What is the InChIKey of 2-ethyl-N-(3-hydroxy-4-methylphenyl)hexanamide?
The InChIKey is CVYDSMHOKYHPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-6-7-12(5-2)15(18)16-13-9-8-11(3)14(17)10-13/h8-10,12,17H,4-7H2,1-3H3,(H,16,18).
What are the key properties of 2-ethyl-N-(3-hydroxy-4-methylphenyl)hexanamide?
2-ethyl-N-(3-hydroxy-4-methylphenyl)hexanamide has a molecular weight of 249.35 g/mol, XLogP of 3.86, 6 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)hexanamide is sourced from PubChem (CID 4987568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).