(E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide

C23H24N2O4 — CID 1327321

IUPAC(E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/NC(=O)/C=C/c2ccccc2)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H24N2O4/c1-28-20-10-7-19(8-11-20)17-21(23(27)25-13-15-29-16-14-25)24-22(26)12-9-18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,24,26)/b12-9+,21-17+
InChIKeyYAHFJRYNASGFJP-LCLOIPLNSA-N
MW392.46 g/mol
LogP2.72
Rot. Bonds6

About (E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide

(E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide (PubChem CID 1327321) has the molecular formula C23H24N2O4 and a molecular weight of 392.46 g/mol. Its IUPAC name is (E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
PubChem CID1327321
Molecular FormulaC23H24N2O4
Molecular Weight392.46 g/mol
Exact Mass392.17
IUPAC Name(E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide
SMILESCOc1ccc(/C=C(/NC(=O)/C=C/c2ccccc2)C(=O)N2CCOCC2)cc1
InChIInChI=1S/C23H24N2O4/c1-28-20-10-7-19(8-11-20)17-21(23(27)25-13-15-29-16-14-25)24-22(26)12-9-18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,24,26)/b12-9+,21-17+
InChIKeyYAHFJRYNASGFJP-LCLOIPLNSA-N
XLogP2.72
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide (CID 1327321) is (E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide is COc1ccc(/C=C(/NC(=O)/C=C/c2ccccc2)C(=O)N2CCOCC2)cc1.
What is the InChIKey of (E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide?
The InChIKey is YAHFJRYNASGFJP-LCLOIPLNSA-N. The full InChI is InChI=1S/C23H24N2O4/c1-28-20-10-7-19(8-11-20)17-21(23(27)25-13-15-29-16-14-25)24-22(26)12-9-18-5-3-2-4-6-18/h2-12,17H,13-16H2,1H3,(H,24,26)/b12-9+,21-17+.
What are the key properties of (E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide?
(E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide has a molecular weight of 392.46 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-1-(4-methoxyphenyl)-3-morpholin-4-yl-3-oxoprop-1-en-2-yl]-3-phenylprop-2-enamide is sourced from PubChem (CID 1327321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).