(E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C23H25NO5 — CID 90250207

IUPAC(E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCCc2c(C)oc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C23H25NO5/c1-15-17(18-7-5-6-8-19(18)29-15)11-12-24-22(25)10-9-16-13-20(26-2)23(28-4)21(14-16)27-3/h5-10,13-14H,11-12H2,1-4H3,(H,24,25)/b10-9+
InChIKeyOVAICNVLFOZDFK-MDZDMXLPSA-N
MW395.46 g/mol
LogP4.14
Rot. Bonds8

About (E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 90250207) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is (E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID90250207
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name(E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)NCCc2c(C)oc3ccccc23)cc(OC)c1OC
InChIInChI=1S/C23H25NO5/c1-15-17(18-7-5-6-8-19(18)29-15)11-12-24-22(25)10-9-16-13-20(26-2)23(28-4)21(14-16)27-3/h5-10,13-14H,11-12H2,1-4H3,(H,24,25)/b10-9+
InChIKeyOVAICNVLFOZDFK-MDZDMXLPSA-N
XLogP4.14
TPSA69.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 90250207) is (E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)NCCc2c(C)oc3ccccc23)cc(OC)c1OC.
What is the InChIKey of (E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is OVAICNVLFOZDFK-MDZDMXLPSA-N. The full InChI is InChI=1S/C23H25NO5/c1-15-17(18-7-5-6-8-19(18)29-15)11-12-24-22(25)10-9-16-13-20(26-2)23(28-4)21(14-16)27-3/h5-10,13-14H,11-12H2,1-4H3,(H,24,25)/b10-9+.
What are the key properties of (E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 395.46 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methyl-1-benzofuran-3-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 90250207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).