(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide

C21H21N3O3 — CID 60613245

IUPAC(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nc2ccc(-c3ncc[nH]3)cc2)ccc1OC
InChIInChI=1S/C21H21N3O3/c1-3-27-19-14-15(4-10-18(19)26-2)5-11-20(25)24-17-8-6-16(7-9-17)21-22-12-13-23-21/h4-14H,3H2,1-2H3,(H,22,23)(H,24,25)/b11-5+
InChIKeyUZFOJUMUNGKRNM-VZUCSPMQSA-N
MW363.42 g/mol
LogP4.14
Rot. Bonds7

About (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide

(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide (PubChem CID 60613245) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
PubChem CID60613245
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)Nc2ccc(-c3ncc[nH]3)cc2)ccc1OC
InChIInChI=1S/C21H21N3O3/c1-3-27-19-14-15(4-10-18(19)26-2)5-11-20(25)24-17-8-6-16(7-9-17)21-22-12-13-23-21/h4-14H,3H2,1-2H3,(H,22,23)(H,24,25)/b11-5+
InChIKeyUZFOJUMUNGKRNM-VZUCSPMQSA-N
XLogP4.14
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-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

3-(3-chloro-4,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 76879101
3-(3,5-dimethoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide
CID 76879130
(E)-N-[4-(dimethylamino)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 78776552
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-pyridin-4-ylprop-2-enamide
CID 39953622
(E)-N-[4-(2-amino-2-oxoethyl)phenyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 55620260
2-[4-[[(E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]phenyl]acetic acid
CID 45346201
4-[3-(4-ethoxy-3-methoxyphenyl)prop-2-enoylamino]benzamide
CID 719545
(E)-N-(4-aminophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28854464
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732824
N-[4-(diethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183385
N-[4-(dimethylamino)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5183388

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide (CID 60613245) is (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide is CCOc1cc(/C=C/C(=O)Nc2ccc(-c3ncc[nH]3)cc2)ccc1OC.
What is the InChIKey of (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide?
The InChIKey is UZFOJUMUNGKRNM-VZUCSPMQSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-3-27-19-14-15(4-10-18(19)26-2)5-11-20(25)24-17-8-6-16(7-9-17)21-22-12-13-23-21/h4-14H,3H2,1-2H3,(H,22,23)(H,24,25)/b11-5+.
What are the key properties of (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide?
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide has a molecular weight of 363.42 g/mol, XLogP of 4.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[4-(1H-imidazol-2-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 60613245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).