(E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide

C14H19NO2 — CID 113247426

IUPAC(E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide
SMILESCC(C)C(CO)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(2)13(10-16)15-14(17)9-8-12-6-4-3-5-7-12/h3-9,11,13,16H,10H2,1-2H3,(H,15,17)/b9-8+
InChIKeyUUFMITQDMMJQLZ-CMDGGOBGSA-N
MW233.31 g/mol
LogP1.83
Rot. Bonds5

About (E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide

(E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide (PubChem CID 113247426) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is (E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide
PubChem CID113247426
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name(E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide
SMILESCC(C)C(CO)NC(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(2)13(10-16)15-14(17)9-8-12-6-4-3-5-7-12/h3-9,11,13,16H,10H2,1-2H3,(H,15,17)/b9-8+
InChIKeyUUFMITQDMMJQLZ-CMDGGOBGSA-N
XLogP1.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-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 (E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide (CID 113247426) is (E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide is CC(C)C(CO)NC(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide?
The InChIKey is UUFMITQDMMJQLZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(2)13(10-16)15-14(17)9-8-12-6-4-3-5-7-12/h3-9,11,13,16H,10H2,1-2H3,(H,15,17)/b9-8+.
What are the key properties of (E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide?
(E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide has a molecular weight of 233.31 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-hydroxy-3-methylbutan-2-yl)-3-phenylprop-2-enamide is sourced from PubChem (CID 113247426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).