5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide

C27H24N2O3 — CID 1325205

IUPAC5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide
SMILESCCOc1ccc2oc(-c3ccccc3)c(C(=O)NCCc3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C27H24N2O3/c1-2-31-20-12-13-24-22(16-20)25(26(32-24)18-8-4-3-5-9-18)27(30)28-15-14-19-17-29-23-11-7-6-10-21(19)23/h3-13,16-17,29H,2,14-15H2,1H3,(H,28,30)
InChIKeyZAVYMYGSMLMCSW-UHFFFAOYSA-N
MW424.50 g/mol
LogP5.95
Rot. Bonds7

About 5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide

5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide (PubChem CID 1325205) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is 5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide
PubChem CID1325205
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Name5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide
SMILESCCOc1ccc2oc(-c3ccccc3)c(C(=O)NCCc3c[nH]c4ccccc34)c2c1
InChIInChI=1S/C27H24N2O3/c1-2-31-20-12-13-24-22(16-20)25(26(32-24)18-8-4-3-5-9-18)27(30)28-15-14-19-17-29-23-11-7-6-10-21(19)23/h3-13,16-17,29H,2,14-15H2,1H3,(H,28,30)
InChIKeyZAVYMYGSMLMCSW-UHFFFAOYSA-N
XLogP5.95
TPSA67.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide?
The IUPAC name of 5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide (CID 1325205) is 5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide is CCOc1ccc2oc(-c3ccccc3)c(C(=O)NCCc3c[nH]c4ccccc34)c2c1.
What is the InChIKey of 5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide?
The InChIKey is ZAVYMYGSMLMCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-2-31-20-12-13-24-22(16-20)25(26(32-24)18-8-4-3-5-9-18)27(30)28-15-14-19-17-29-23-11-7-6-10-21(19)23/h3-13,16-17,29H,2,14-15H2,1H3,(H,28,30).
What are the key properties of 5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide?
5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide has a molecular weight of 424.50 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-N-[2-(1H-indol-3-yl)ethyl]-2-phenyl-1-benzofuran-3-carboxamide is sourced from PubChem (CID 1325205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).