2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

C23H20N2O2 — CID 7744227

IUPAC2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)N/N=C\C=C\c1ccccc1
InChIInChI=1S/C23H20N2O2/c26-23(25-24-17-9-12-19-10-3-1-4-11-19)18-27-22-16-8-7-15-21(22)20-13-5-2-6-14-20/h1-17H,18H2,(H,25,26)/b12-9+,24-17-
InChIKeyAPRDLWTXAVMNSB-QDIGQJKTSA-N
MW356.43 g/mol
LogP4.55
Rot. Bonds7

About 2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide

2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (PubChem CID 7744227) has the molecular formula C23H20N2O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is 2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.

Molecular Properties

Compound Name2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
PubChem CID7744227
Molecular FormulaC23H20N2O2
Molecular Weight356.43 g/mol
Exact Mass356.15
IUPAC Name2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
SMILESO=C(COc1ccccc1-c1ccccc1)N/N=C\C=C\c1ccccc1
InChIInChI=1S/C23H20N2O2/c26-23(25-24-17-9-12-19-10-3-1-4-11-19)18-27-22-16-8-7-15-21(22)20-13-5-2-6-14-20/h1-17H,18H2,(H,25,26)/b12-9+,24-17-
InChIKeyAPRDLWTXAVMNSB-QDIGQJKTSA-N
XLogP4.55
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The IUPAC name of 2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide (CID 7744227) is 2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
What is the SMILES notation for 2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The canonical SMILES for 2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is O=C(COc1ccccc1-c1ccccc1)N/N=C\C=C\c1ccccc1.
What is the InChIKey of 2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
The InChIKey is APRDLWTXAVMNSB-QDIGQJKTSA-N. The full InChI is InChI=1S/C23H20N2O2/c26-23(25-24-17-9-12-19-10-3-1-4-11-19)18-27-22-16-8-7-15-21(22)20-13-5-2-6-14-20/h1-17H,18H2,(H,25,26)/b12-9+,24-17-.
What are the key properties of 2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide?
2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide has a molecular weight of 356.43 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylphenoxy)-N-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]acetamide is sourced from PubChem (CID 7744227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).