3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide

C20H23NO4 — CID 732806

IUPAC3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccccc2OC)cc1OCC
InChIInChI=1S/C20H23NO4/c1-4-24-18-12-10-15(14-19(18)25-5-2)11-13-20(22)21-16-8-6-7-9-17(16)23-3/h6-14H,4-5H2,1-3H3,(H,21,22)
InChIKeyZOLBNDDPAXMZKF-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.14
Rot. Bonds8

About 3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide

3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide (PubChem CID 732806) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
PubChem CID732806
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
SMILESCCOc1ccc(C=CC(=O)Nc2ccccc2OC)cc1OCC
InChIInChI=1S/C20H23NO4/c1-4-24-18-12-10-15(14-19(18)25-5-2)11-13-20(22)21-16-8-6-7-9-17(16)23-3/h6-14H,4-5H2,1-3H3,(H,21,22)
InChIKeyZOLBNDDPAXMZKF-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
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-butoxyphenyl)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enamide
CID 166162419
N-[2-(difluoromethoxy)phenyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 102603110
N-(2-chlorophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 5073679
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821
3-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]-4-methoxybenzoic acid
CID 28686572
(E)-3-(3-amino-4-methoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 39419191
N-[2,5-diethoxy-4-[[(E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoyl]amino]phenyl]benzamide
CID 19185153
(E)-N-(5-cyano-2-methoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 49183329
[(2S)-1-(2-methoxyanilino)-1-oxopropan-2-yl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7253540
3-(5-bromo-2-ethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide
CID 4099886
(E)-3-(4-ethoxy-3-methoxyphenyl)-N-(2-pyrazol-1-ylphenyl)prop-2-enamide
CID 55647282
(E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552249

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The IUPAC name of 3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide (CID 732806) is 3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for 3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The canonical SMILES for 3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide is CCOc1ccc(C=CC(=O)Nc2ccccc2OC)cc1OCC.
What is the InChIKey of 3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
The InChIKey is ZOLBNDDPAXMZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-4-24-18-12-10-15(14-19(18)25-5-2)11-13-20(22)21-16-8-6-7-9-17(16)23-3/h6-14H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide?
3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide has a molecular weight of 341.41 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-diethoxyphenyl)-N-(2-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 732806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).