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

C20H23NO4 — CID 707185

IUPAC(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO4/c1-23-17-8-4-15(5-9-17)7-11-20(22)21-13-12-16-6-10-18(24-2)19(14-16)25-3/h4-11,14H,12-13H2,1-3H3,(H,21,22)/b11-7+
InChIKeyQGOKHJLXPOTHNJ-YRNVUSSQSA-N
MW341.41 g/mol
LogP3.08
Rot. Bonds8

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

(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide (PubChem CID 707185) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
PubChem CID707185
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO4/c1-23-17-8-4-15(5-9-17)7-11-20(22)21-13-12-16-6-10-18(24-2)19(14-16)25-3/h4-11,14H,12-13H2,1-3H3,(H,21,22)/b11-7+
InChIKeyQGOKHJLXPOTHNJ-YRNVUSSQSA-N
XLogP3.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.08
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-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide (CID 707185) is (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)NCCc2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
The InChIKey is QGOKHJLXPOTHNJ-YRNVUSSQSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-17-8-4-15(5-9-17)7-11-20(22)21-13-12-16-6-10-18(24-2)19(14-16)25-3/h4-11,14H,12-13H2,1-3H3,(H,21,22)/b11-7+.
What are the key properties of (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide?
(E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide has a molecular weight of 341.41 g/mol, XLogP of 3.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 707185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).