N-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide

C14H19NO3 — CID 23528179

IUPACN-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide
SMILESC=CCOc1ccc(NC(=O)C(C)CC)c(O)c1
InChIInChI=1S/C14H19NO3/c1-4-8-18-11-6-7-12(13(16)9-11)15-14(17)10(3)5-2/h4,6-7,9-10,16H,1,5,8H2,2-3H3,(H,15,17)
InChIKeyYBRFNFVIUJLCES-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.94
Rot. Bonds6

About N-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide

N-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide (PubChem CID 23528179) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide.

Molecular Properties

Compound NameN-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide
PubChem CID23528179
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC NameN-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide
SMILESC=CCOc1ccc(NC(=O)C(C)CC)c(O)c1
InChIInChI=1S/C14H19NO3/c1-4-8-18-11-6-7-12(13(16)9-11)15-14(17)10(3)5-2/h4,6-7,9-10,16H,1,5,8H2,2-3H3,(H,15,17)
InChIKeyYBRFNFVIUJLCES-UHFFFAOYSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide?
The IUPAC name of N-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide (CID 23528179) is N-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide.
What is the SMILES notation for N-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide?
The canonical SMILES for N-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide is C=CCOc1ccc(NC(=O)C(C)CC)c(O)c1.
What is the InChIKey of N-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide?
The InChIKey is YBRFNFVIUJLCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-4-8-18-11-6-7-12(13(16)9-11)15-14(17)10(3)5-2/h4,6-7,9-10,16H,1,5,8H2,2-3H3,(H,15,17).
What are the key properties of N-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide?
N-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide has a molecular weight of 249.31 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-4-prop-2-enoxyphenyl)-2-methylbutanamide is sourced from PubChem (CID 23528179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).