(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide

C21H20N4O3 — CID 35371477

IUPAC(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2ccccc2-n2cncn2)cc1OC
InChIInChI=1S/C21H20N4O3/c1-3-12-28-19-10-8-16(13-20(19)27-2)9-11-21(26)24-17-6-4-5-7-18(17)25-15-22-14-23-25/h3-11,13-15H,1,12H2,2H3,(H,24,26)/b11-9+
InChIKeyGUIOHEPBOJGWMT-PKNBQFBNSA-N
MW376.42 g/mol
LogP3.49
Rot. Bonds8

About (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide

(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide (PubChem CID 35371477) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
PubChem CID35371477
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide
SMILESC=CCOc1ccc(/C=C/C(=O)Nc2ccccc2-n2cncn2)cc1OC
InChIInChI=1S/C21H20N4O3/c1-3-12-28-19-10-8-16(13-20(19)27-2)9-11-21(26)24-17-6-4-5-7-18(17)25-15-22-14-23-25/h3-11,13-15H,1,12H2,2H3,(H,24,26)/b11-9+
InChIKeyGUIOHEPBOJGWMT-PKNBQFBNSA-N
XLogP3.49
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]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

(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
CID 55647282
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enamide
CID 75878290
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-(1-methylpyrazol-3-yl)prop-2-enamide
CID 18092760
(E)-N-(3-acetamidophenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26103193
(E)-N-(3,5-dimethoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 9096622
(E)-N-(3-methoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26914384
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 30884925
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetamide
CID 24980594
(E)-N-(2-hydroxyethyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 78783486
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
3-(3-methoxy-4-prop-2-enoxyphenyl)-1-phenylprop-2-en-1-one
CID 75849735
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide (CID 35371477) is (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide is C=CCOc1ccc(/C=C/C(=O)Nc2ccccc2-n2cncn2)cc1OC.
What is the InChIKey of (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide?
The InChIKey is GUIOHEPBOJGWMT-PKNBQFBNSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-3-12-28-19-10-8-16(13-20(19)27-2)9-11-21(26)24-17-6-4-5-7-18(17)25-15-22-14-23-25/h3-11,13-15H,1,12H2,2H3,(H,24,26)/b11-9+.
What are the key properties of (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide?
(E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide has a molecular weight of 376.42 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxy-4-prop-2-enoxyphenyl)-N-[2-(1,2,4-triazol-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 35371477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).