2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide

C26H34N2O2 — CID 11852596

IUPAC2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide
SMILESCCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(OCC)c3)ccc21
InChIInChI=1S/C26H34N2O2/c1-3-5-6-7-8-9-15-28-19-22(18-26(27)29)24-17-21(13-14-25(24)28)20-11-10-12-23(16-20)30-4-2/h10-14,16-17,19H,3-9,15,18H2,1-2H3,(H2,27,29)
InChIKeyJHFMGDBCTFJFDM-UHFFFAOYSA-N
MW406.57 g/mol
LogP6.10
Rot. Bonds12

About 2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide

2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide (PubChem CID 11852596) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide
PubChem CID11852596
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide
SMILESCCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(OCC)c3)ccc21
InChIInChI=1S/C26H34N2O2/c1-3-5-6-7-8-9-15-28-19-22(18-26(27)29)24-17-21(13-14-25(24)28)20-11-10-12-23(16-20)30-4-2/h10-14,16-17,19H,3-9,15,18H2,1-2H3,(H2,27,29)
InChIKeyJHFMGDBCTFJFDM-UHFFFAOYSA-N
XLogP6.10
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide?
The IUPAC name of 2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide (CID 11852596) is 2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide?
The canonical SMILES for 2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide is CCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(OCC)c3)ccc21.
What is the InChIKey of 2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide?
The InChIKey is JHFMGDBCTFJFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c1-3-5-6-7-8-9-15-28-19-22(18-26(27)29)24-17-21(13-14-25(24)28)20-11-10-12-23(16-20)30-4-2/h10-14,16-17,19H,3-9,15,18H2,1-2H3,(H2,27,29).
What are the key properties of 2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide?
2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide has a molecular weight of 406.57 g/mol, XLogP of 6.10, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-ethoxyphenyl)-1-octylindol-3-yl]acetamide is sourced from PubChem (CID 11852596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).