N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide

C16H16N2O3 — CID 2246502

IUPACN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C/C=C/c2ccco2)cc1
InChIInChI=1S/C16H16N2O3/c1-13-6-8-15(9-7-13)21-12-16(19)18-17-10-2-4-14-5-3-11-20-14/h2-11H,12H2,1H3,(H,18,19)/b4-2+,17-10+
InChIKeyZLIKBJDOAKQJLS-PAKBQEMXSA-N
MW284.31 g/mol
LogP2.78
Rot. Bonds6

About N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide

N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide (PubChem CID 2246502) has the molecular formula C16H16N2O3 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide
PubChem CID2246502
Molecular FormulaC16H16N2O3
Molecular Weight284.31 g/mol
Exact Mass284.12
IUPAC NameN-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C/C=C/c2ccco2)cc1
InChIInChI=1S/C16H16N2O3/c1-13-6-8-15(9-7-13)21-12-16(19)18-17-10-2-4-14-5-3-11-20-14/h2-11H,12H2,1H3,(H,18,19)/b4-2+,17-10+
InChIKeyZLIKBJDOAKQJLS-PAKBQEMXSA-N
XLogP2.78
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.78
H-Bond Donors ≤ 51
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 N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide 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-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide?
The IUPAC name of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide (CID 2246502) is N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide.
What is the SMILES notation for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide?
The canonical SMILES for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide is Cc1ccc(OCC(=O)N/N=C/C=C/c2ccco2)cc1.
What is the InChIKey of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide?
The InChIKey is ZLIKBJDOAKQJLS-PAKBQEMXSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-13-6-8-15(9-7-13)21-12-16(19)18-17-10-2-4-14-5-3-11-20-14/h2-11H,12H2,1H3,(H,18,19)/b4-2+,17-10+.
What are the key properties of N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide?
N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide has a molecular weight of 284.31 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(4-methylphenoxy)acetamide is sourced from PubChem (CID 2246502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).