(E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one

C21H24N2O3 — CID 12027175

IUPAC(E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one
SMILESCCOc1ccc(N(/C=C/C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-2-26-20-10-8-19(9-11-20)23(18-6-4-3-5-7-18)13-12-21(24)22-14-16-25-17-15-22/h3-13H,2,14-17H2,1H3/b13-12+
InChIKeyGYUACHNOOVKESO-OUKQBFOZSA-N
MW352.43 g/mol
LogP3.60
Rot. Bonds6

About (E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one

(E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one (PubChem CID 12027175) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is (E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one
PubChem CID12027175
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name(E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one
SMILESCCOc1ccc(N(/C=C/C(=O)N2CCOCC2)c2ccccc2)cc1
InChIInChI=1S/C21H24N2O3/c1-2-26-20-10-8-19(9-11-20)23(18-6-4-3-5-7-18)13-12-21(24)22-14-16-25-17-15-22/h3-13H,2,14-17H2,1H3/b13-12+
InChIKeyGYUACHNOOVKESO-OUKQBFOZSA-N
XLogP3.60
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-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

Related Compounds

[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] 2-(4-ethoxyphenoxy)acetate
CID 7704937
4-ethoxy-N-(4-ethoxyphenyl)-N-phenylaniline
CID 18996804
4-ethoxy-N-[morpholin-4-yl(phenyl)methylidene]benzenesulfonamide
CID 2350134
(2S)-2-(4-ethoxyphenyl)-2-morpholin-4-ylacetic acid
CID 27378601
(E)-3-(4-ethoxyphenyl)-1-[4-[(E)-3-(4-ethoxyphenyl)prop-2-enoyl]-1,4-diazepan-1-yl]prop-2-en-1-one
CID 17228057
1-[4-[2-(4-ethoxyphenyl)acetyl]piperazin-1-yl]-2-morpholin-4-ylethane-1,2-dione
CID 55471046
2-[1-(4-ethoxyphenyl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 47016534
2-(4-ethoxyphenyl)-1-(1,3-oxazolidin-3-yl)ethanone
CID 110746558
4-ethoxy-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 27258304
ethyl 4-[3-(4-ethoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate
CID 102603355
4-ethoxy-N-[(2R)-1-morpholin-4-yl-1-oxopropan-2-yl]benzamide
CID 95246062
(2R)-2-(4-ethoxy-N-methylsulfonylanilino)-N-[2-(morpholine-4-carbonyl)phenyl]propanamide
CID 126319620

Frequently Asked Questions

What is the IUPAC name of (E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one?
The IUPAC name of (E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one (CID 12027175) is (E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one.
What is the SMILES notation for (E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one?
The canonical SMILES for (E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one is CCOc1ccc(N(/C=C/C(=O)N2CCOCC2)c2ccccc2)cc1.
What is the InChIKey of (E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one?
The InChIKey is GYUACHNOOVKESO-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-26-20-10-8-19(9-11-20)23(18-6-4-3-5-7-18)13-12-21(24)22-14-16-25-17-15-22/h3-13H,2,14-17H2,1H3/b13-12+.
What are the key properties of (E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one?
(E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one has a molecular weight of 352.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(N-(4-ethoxyphenyl)anilino)-1-morpholin-4-ylprop-2-en-1-one is sourced from PubChem (CID 12027175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).