(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide

C20H22N2O3 — CID 2677795

IUPAC(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H22N2O3/c1-24-17-6-4-5-16(15-17)9-10-20(23)21-18-7-2-3-8-19(18)22-11-13-25-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23)/b10-9+
InChIKeyCTHLQWPGJSKUCL-MDZDMXLPSA-N
MW338.41 g/mol
LogP3.18
Rot. Bonds5

About (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide

(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide (PubChem CID 2677795) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
PubChem CID2677795
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC Name(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)Nc2ccccc2N2CCOCC2)c1
InChIInChI=1S/C20H22N2O3/c1-24-17-6-4-5-16(15-17)9-10-20(23)21-18-7-2-3-8-19(18)22-11-13-25-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23)/b10-9+
InChIKeyCTHLQWPGJSKUCL-MDZDMXLPSA-N
XLogP3.18
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.18
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

Cilostamide
CID 2753
1-(2-(Benzyloxy)phenyl)piperazine
CID 22615724
4-fluoro-N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)benzamide
CID 13318472
3-Methoxy-N-[2-(4-p-tolyl-piperazin-1-yl)-ethyl]-benzamide
CID 11131951
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 2653640
2-methoxy-N-[2-(piperidin-1-yl)phenyl]benzamide
CID 756103
N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 13318464
2-(4-methoxyphenoxy)-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 3160214
3-(4-Iodo-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 9827991
3-methoxy-N-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}benzamide
CID 10406796
3-(2-Iodo-phenyl)-N-{4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-acrylamide
CID 10940279
3-(2-methoxyphenyl)-N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)acrylamide
CID 10949917

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide (CID 2677795) is (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)Nc2ccccc2N2CCOCC2)c1.
What is the InChIKey of (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
The InChIKey is CTHLQWPGJSKUCL-MDZDMXLPSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-24-17-6-4-5-16(15-17)9-10-20(23)21-18-7-2-3-8-19(18)22-11-13-25-14-12-22/h2-10,15H,11-14H2,1H3,(H,21,23)/b10-9+.
What are the key properties of (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide?
(E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide has a molecular weight of 338.41 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxyphenyl)-N-(2-morpholin-4-ylphenyl)prop-2-enamide is sourced from PubChem (CID 2677795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).