(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide

C23H27FN2O3 — CID 55899935

IUPAC(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCC(c2ccc(C)cc2)N2CCOCC2)cc1F
InChIInChI=1S/C23H27FN2O3/c1-17-3-7-19(8-4-17)21(26-11-13-29-14-12-26)16-25-23(27)10-6-18-5-9-22(28-2)20(24)15-18/h3-10,15,21H,11-14,16H2,1-2H3,(H,25,27)/b10-6+
InChIKeyBZHBFBMNOUOVRN-UXBLZVDNSA-N
MW398.48 g/mol
LogP3.35
Rot. Bonds7

About (E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide

(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide (PubChem CID 55899935) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is (E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
PubChem CID55899935
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCC(c2ccc(C)cc2)N2CCOCC2)cc1F
InChIInChI=1S/C23H27FN2O3/c1-17-3-7-19(8-4-17)21(26-11-13-29-14-12-26)16-25-23(27)10-6-18-5-9-22(28-2)20(24)15-18/h3-10,15,21H,11-14,16H2,1-2H3,(H,25,27)/b10-6+
InChIKeyBZHBFBMNOUOVRN-UXBLZVDNSA-N
XLogP3.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-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)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 55406703
(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(3-methoxy-4-propoxyphenyl)prop-2-enamide
CID 55331152
(E)-3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55463569
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylprop-2-enamide
CID 75281369
3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55875979
(E)-3-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 60594629
1-(3-fluoro-4-methoxyphenyl)-2-[[2-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]ethanone
CID 110825842
3-(3,4-dimethoxyphenyl)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)prop-2-enamide
CID 5207843
(E)-3-(4-chlorophenyl)-N-[(2S)-2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]prop-2-enamide
CID 35576965
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 42939291
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]prop-2-enamide
CID 9150082
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 46457175

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide (CID 55899935) is (E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide is COc1ccc(/C=C/C(=O)NCC(c2ccc(C)cc2)N2CCOCC2)cc1F.
What is the InChIKey of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
The InChIKey is BZHBFBMNOUOVRN-UXBLZVDNSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-17-3-7-19(8-4-17)21(26-11-13-29-14-12-26)16-25-23(27)10-6-18-5-9-22(28-2)20(24)15-18/h3-10,15,21H,11-14,16H2,1-2H3,(H,25,27)/b10-6+.
What are the key properties of (E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide?
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide has a molecular weight of 398.48 g/mol, XLogP of 3.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide is sourced from PubChem (CID 55899935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).