(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide

C21H25NO4 — CID 55338622

IUPAC(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)NCCc2ccccc2OC)ccc1OC
InChIInChI=1S/C21H25NO4/c1-4-26-20-15-16(9-11-19(20)25-3)10-12-21(23)22-14-13-17-7-5-6-8-18(17)24-2/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)/b12-10+
InChIKeyPZKKAFRKQWJTAE-ZRDIBKRKSA-N
MW355.43 g/mol
LogP3.47
Rot. Bonds9

About (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide

(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide (PubChem CID 55338622) has the molecular formula C21H25NO4 and a molecular weight of 355.43 g/mol. Its IUPAC name is (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
PubChem CID55338622
Molecular FormulaC21H25NO4
Molecular Weight355.43 g/mol
Exact Mass355.18
IUPAC Name(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)NCCc2ccccc2OC)ccc1OC
InChIInChI=1S/C21H25NO4/c1-4-26-20-15-16(9-11-19(20)25-3)10-12-21(23)22-14-13-17-7-5-6-8-18(17)24-2/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)/b12-10+
InChIKeyPZKKAFRKQWJTAE-ZRDIBKRKSA-N
XLogP3.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 53.47
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

(E)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 26851284
(E)-3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide
CID 11324381
(E)-3-[4-(difluoromethoxy)-3-ethoxyphenyl]-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 38573380
3-(3-ethoxy-4-methoxyphenyl)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]prop-2-enamide
CID 78810296
3-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 5217365
3-(3,4-diethoxyphenyl)-N-propylprop-2-enamide
CID 102603082
(E)-N-(2-aminoethyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 82335664
3-(4-ethoxy-3-methoxyphenyl)-N-(2-phenoxyethyl)prop-2-enamide
CID 102603120
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 732806
(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 9241050
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-naphthalen-1-yloxyethyl)prop-2-enamide
CID 19174613
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide (CID 55338622) is (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide is CCOc1cc(/C=C/C(=O)NCCc2ccccc2OC)ccc1OC.
What is the InChIKey of (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide?
The InChIKey is PZKKAFRKQWJTAE-ZRDIBKRKSA-N. The full InChI is InChI=1S/C21H25NO4/c1-4-26-20-15-16(9-11-19(20)25-3)10-12-21(23)22-14-13-17-7-5-6-8-18(17)24-2/h5-12,15H,4,13-14H2,1-3H3,(H,22,23)/b12-10+.
What are the key properties of (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide?
(E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide has a molecular weight of 355.43 g/mol, XLogP of 3.47, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-ethoxy-4-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]prop-2-enamide is sourced from PubChem (CID 55338622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).