(E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one

C21H23NO2 — CID 7948302

IUPAC(E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H23NO2/c1-2-17-3-5-18(6-4-17)7-12-21(23)19-8-10-20(11-9-19)22-13-15-24-16-14-22/h3-12H,2,13-16H2,1H3/b12-7+
InChIKeyFXQLKLZWEUEWLA-KPKJPENVSA-N
MW321.42 g/mol
LogP3.98
Rot. Bonds5

About (E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one

(E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one (PubChem CID 7948302) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is (E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
PubChem CID7948302
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Name(E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one
SMILESCCc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H23NO2/c1-2-17-3-5-18(6-4-17)7-12-21(23)19-8-10-20(11-9-19)22-13-15-24-16-14-22/h3-12H,2,13-16H2,1H3/b12-7+
InChIKeyFXQLKLZWEUEWLA-KPKJPENVSA-N
XLogP3.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one 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 (E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one (CID 7948302) is (E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one is CCc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1.
What is the InChIKey of (E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
The InChIKey is FXQLKLZWEUEWLA-KPKJPENVSA-N. The full InChI is InChI=1S/C21H23NO2/c1-2-17-3-5-18(6-4-17)7-12-21(23)19-8-10-20(11-9-19)22-13-15-24-16-14-22/h3-12H,2,13-16H2,1H3/b12-7+.
What are the key properties of (E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one?
(E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one has a molecular weight of 321.42 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-ethylphenyl)-1-(4-morpholin-4-ylphenyl)prop-2-en-1-one is sourced from PubChem (CID 7948302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).