(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

C23H27FN2O3 — CID 55406703

IUPAC(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C23H27FN2O3/c1-17-3-9-22(28-2)19(15-17)6-10-23(27)25-16-21(26-11-13-29-14-12-26)18-4-7-20(24)8-5-18/h3-10,15,21H,11-14,16H2,1-2H3,(H,25,27)/b10-6+
InChIKeyGALNWVNOQYPQJA-UXBLZVDNSA-N
MW398.48 g/mol
LogP3.35
Rot. Bonds7

About (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide

(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide (PubChem CID 55406703) has the molecular formula C23H27FN2O3 and a molecular weight of 398.48 g/mol. Its IUPAC name is (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
PubChem CID55406703
Molecular FormulaC23H27FN2O3
Molecular Weight398.48 g/mol
Exact Mass398.20
IUPAC Name(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide
SMILESCOc1ccc(C)cc1/C=C/C(=O)NCC(c1ccc(F)cc1)N1CCOCC1
InChIInChI=1S/C23H27FN2O3/c1-17-3-9-22(28-2)19(15-17)6-10-23(27)25-16-21(26-11-13-29-14-12-26)18-4-7-20(24)8-5-18/h3-10,15,21H,11-14,16H2,1-2H3,(H,25,27)/b10-6+
InChIKeyGALNWVNOQYPQJA-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'}

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Related Compounds

3-(5-chloro-2-methoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55875979
(E)-3-(2-methoxy-5-methylphenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 46457175
(E)-3-(3-fluoro-4-methoxyphenyl)-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]prop-2-enamide
CID 55899935
(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
5-chloro-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methoxybenzamide
CID 4790233
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylprop-2-enamide
CID 75281369
(E)-N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(furan-2-yl)prop-2-enamide
CID 7721839
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111312753
N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-methylpropanamide
CID 30334846
N'-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]oxamide
CID 18589257
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-(4-methylphenyl)acetamide
CID 17459584

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide (CID 55406703) is (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide is COc1ccc(C)cc1/C=C/C(=O)NCC(c1ccc(F)cc1)N1CCOCC1.
What is the InChIKey of (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
The InChIKey is GALNWVNOQYPQJA-UXBLZVDNSA-N. The full InChI is InChI=1S/C23H27FN2O3/c1-17-3-9-22(28-2)19(15-17)6-10-23(27)25-16-21(26-11-13-29-14-12-26)18-4-7-20(24)8-5-18/h3-10,15,21H,11-14,16H2,1-2H3,(H,25,27)/b10-6+.
What are the key properties of (E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide?
(E)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)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)-N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-(2-methoxy-5-methylphenyl)prop-2-enamide is sourced from PubChem (CID 55406703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).