N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide

C11H13NO2 — CID 151343471

IUPACN-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1c(C)cc(O)cc1C
InChIInChI=1S/C11H13NO2/c1-4-10(14)12-11-7(2)5-9(13)6-8(11)3/h4-6,13H,1H2,2-3H3,(H,12,14)
InChIKeyOKYSTNDGNOASMX-UHFFFAOYSA-N
MW191.23 g/mol
LogP2.13
Rot. Bonds2

About N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide

N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide (PubChem CID 151343471) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound NameN-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide
PubChem CID151343471
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC NameN-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide
SMILESC=CC(=O)Nc1c(C)cc(O)cc1C
InChIInChI=1S/C11H13NO2/c1-4-10(14)12-11-7(2)5-9(13)6-8(11)3/h4-6,13H,1H2,2-3H3,(H,12,14)
InChIKeyOKYSTNDGNOASMX-UHFFFAOYSA-N
XLogP2.13
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide?
The IUPAC name of N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide (CID 151343471) is N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide?
The canonical SMILES for N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide is C=CC(=O)Nc1c(C)cc(O)cc1C.
What is the InChIKey of N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide?
The InChIKey is OKYSTNDGNOASMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-4-10(14)12-11-7(2)5-9(13)6-8(11)3/h4-6,13H,1H2,2-3H3,(H,12,14).
What are the key properties of N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide?
N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide has a molecular weight of 191.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 151343471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).