3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide

C25H21NO5 — CID 4289361

IUPAC3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(OC)cc3)oc3ccccc23)c1
InChIInChI=1S/C25H21NO5/c1-3-30-19-8-6-7-17(15-19)25(28)26-22-20-9-4-5-10-21(20)31-24(22)23(27)16-11-13-18(29-2)14-12-16/h4-15H,3H2,1-2H3,(H,26,28)
InChIKeyTUIGYYULAYBJHW-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.32
Rot. Bonds7

About 3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide

3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide (PubChem CID 4289361) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
PubChem CID4289361
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Name3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
SMILESCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(OC)cc3)oc3ccccc23)c1
InChIInChI=1S/C25H21NO5/c1-3-30-19-8-6-7-17(15-19)25(28)26-22-20-9-4-5-10-21(20)31-24(22)23(27)16-11-13-18(29-2)14-12-16/h4-15H,3H2,1-2H3,(H,26,28)
InChIKeyTUIGYYULAYBJHW-UHFFFAOYSA-N
XLogP5.32
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide (CID 4289361) is 3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide is CCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(OC)cc3)oc3ccccc23)c1.
What is the InChIKey of 3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is TUIGYYULAYBJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-3-30-19-8-6-7-17(15-19)25(28)26-22-20-9-4-5-10-21(20)31-24(22)23(27)16-11-13-18(29-2)14-12-16/h4-15H,3H2,1-2H3,(H,26,28).
What are the key properties of 3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide?
3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 415.45 g/mol, XLogP of 5.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 4289361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).