2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide

C20H22N2O3 — CID 25237291

IUPAC2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide
SMILESCC(C)(O)C(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-20(2,24)19(23)22-21-15-17-10-12-18(13-11-17)25-14-6-9-16-7-4-3-5-8-16/h3-13,15,24H,14H2,1-2H3,(H,22,23)/b9-6+,21-15-
InChIKeyUWVSOTJXRCDIQH-OQTFOHMESA-N
MW338.41 g/mol
LogP3.00
Rot. Bonds7

About 2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide

2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide (PubChem CID 25237291) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide.

Molecular Properties

Compound Name2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide
PubChem CID25237291
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide
SMILESCC(C)(O)C(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1
InChIInChI=1S/C20H22N2O3/c1-20(2,24)19(23)22-21-15-17-10-12-18(13-11-17)25-14-6-9-16-7-4-3-5-8-16/h3-13,15,24H,14H2,1-2H3,(H,22,23)/b9-6+,21-15-
InChIKeyUWVSOTJXRCDIQH-OQTFOHMESA-N
XLogP3.00
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide 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 2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide?
The IUPAC name of 2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide (CID 25237291) is 2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide.
What is the SMILES notation for 2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide?
The canonical SMILES for 2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide is CC(C)(O)C(=O)N/N=C\c1ccc(OC/C=C/c2ccccc2)cc1.
What is the InChIKey of 2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide?
The InChIKey is UWVSOTJXRCDIQH-OQTFOHMESA-N. The full InChI is InChI=1S/C20H22N2O3/c1-20(2,24)19(23)22-21-15-17-10-12-18(13-11-17)25-14-6-9-16-7-4-3-5-8-16/h3-13,15,24H,14H2,1-2H3,(H,22,23)/b9-6+,21-15-.
What are the key properties of 2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide?
2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide has a molecular weight of 338.41 g/mol, XLogP of 3.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-N-[(Z)-[4-[(E)-3-phenylprop-2-enoxy]phenyl]methylideneamino]propanamide is sourced from PubChem (CID 25237291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).