(E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide

C23H28FN2O4+ — CID 2311906

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)cc1OC
InChIInChI=1S/C23H27FN2O4/c1-28-21-9-3-17(15-22(21)29-2)4-10-23(27)25-16-20(26-11-13-30-14-12-26)18-5-7-19(24)8-6-18/h3-10,15,20H,11-14,16H2,1-2H3,(H,25,27)/p+1/b10-4+/t20-/m0/s1
InChIKeyOVGJGPGXSFXMNT-KUIFVVTRSA-O
MW415.49 g/mol
LogP1.63
Rot. Bonds8

About (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide (PubChem CID 2311906) has the molecular formula C23H28FN2O4+ and a molecular weight of 415.49 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide
PubChem CID2311906
Molecular FormulaC23H28FN2O4+
Molecular Weight415.49 g/mol
Exact Mass415.20
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)cc1OC
InChIInChI=1S/C23H27FN2O4/c1-28-21-9-3-17(15-22(21)29-2)4-10-23(27)25-16-20(26-11-13-30-14-12-26)18-5-7-19(24)8-6-18/h3-10,15,20H,11-14,16H2,1-2H3,(H,25,27)/p+1/b10-4+/t20-/m0/s1
InChIKeyOVGJGPGXSFXMNT-KUIFVVTRSA-O
XLogP1.63
TPSA61.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]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-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55463569
(Z)-3-(3,4-dimethoxyphenyl)-N-(2-methylpropyl)prop-2-enamide
CID 2329661
(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 55331152
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55899935
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 60594629
3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)prop-2-enamide
CID 5207843
3-(3,4-dimethoxyphenyl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 74852248
methyl 2,3-bis[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propanoate
CID 5470540
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[[2-(morpholin-4-ium-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481568
(Z)-3-(3,4-dimethoxyphenyl)-N-[3-[[(Z)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 92928565
(E)-3-(3,4-dimethoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 2318345

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide (CID 2311906) is (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCOCC2)cc1OC.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide?
The InChIKey is OVGJGPGXSFXMNT-KUIFVVTRSA-O. The full InChI is InChI=1S/C23H27FN2O4/c1-28-21-9-3-17(15-22(21)29-2)4-10-23(27)25-16-20(26-11-13-30-14-12-26)18-5-7-19(24)8-6-18/h3-10,15,20H,11-14,16H2,1-2H3,(H,25,27)/p+1/b10-4+/t20-/m0/s1.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide has a molecular weight of 415.49 g/mol, XLogP of 1.63, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-[(2R)-2-(4-fluorophenyl)-2-morpholin-4-ium-4-ylethyl]prop-2-enamide is sourced from PubChem (CID 2311906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).