(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide

C20H20N2O3 — CID 7731956

IUPAC(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H20N2O3/c1-3-14-25-19-11-4-16(5-12-19)6-13-20(24)22-18-9-7-17(8-10-18)21-15(2)23/h3-13H,1,14H2,2H3,(H,21,23)(H,22,24)/b13-6+
InChIKeyVURMMDMLKILDHN-AWNIVKPZSA-N
MW336.39 g/mol
LogP3.86
Rot. Bonds7

About (E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide

(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide (PubChem CID 7731956) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is (E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
PubChem CID7731956
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)cc1
InChIInChI=1S/C20H20N2O3/c1-3-14-25-19-11-4-16(5-12-19)6-13-20(24)22-18-9-7-17(8-10-18)21-15(2)23/h3-13H,1,14H2,2H3,(H,21,23)(H,22,24)/b13-6+
InChIKeyVURMMDMLKILDHN-AWNIVKPZSA-N
XLogP3.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)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

Related Compounds

3-(4-methylphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 4952517
(E)-3-(4-acetamidophenyl)-N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]prop-2-enamide
CID 35687554
(E)-3-(4-acetamidophenyl)-N-[4-(prop-2-enylcarbamoylamino)phenyl]prop-2-enamide
CID 46537448
(E)-N-(4-ethoxy-3-methoxyphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 9102469
(E)-N-[4-(2-methoxyethoxy)phenyl]-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 46461482
(E)-3-(4-ethoxyphenyl)-N-[4-(2-methylprop-2-enoxy)phenyl]prop-2-enamide
CID 17227148
(E)-N-(2,3-dimethylphenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 8714203
(E)-3-(2-methoxyphenyl)-N-(4-prop-2-enoxyphenyl)prop-2-enamide
CID 6235261
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
(E)-N-(4-prop-2-enoxyphenyl)-3-thiophen-2-ylprop-2-enamide
CID 6235270
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate
CID 7486084

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide (CID 7731956) is (E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide is C=CCOc1ccc(/C=C/C(=O)Nc2ccc(NC(C)=O)cc2)cc1.
What is the InChIKey of (E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
The InChIKey is VURMMDMLKILDHN-AWNIVKPZSA-N. The full InChI is InChI=1S/C20H20N2O3/c1-3-14-25-19-11-4-16(5-12-19)6-13-20(24)22-18-9-7-17(8-10-18)21-15(2)23/h3-13H,1,14H2,2H3,(H,21,23)(H,22,24)/b13-6+.
What are the key properties of (E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide?
(E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide has a molecular weight of 336.39 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-acetamidophenyl)-3-(4-prop-2-enoxyphenyl)prop-2-enamide is sourced from PubChem (CID 7731956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).