2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide

C25H30N2O2 — CID 118283201

IUPAC2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide
SMILESCCCCCCCCn1cc(C(=O)C(N)=O)c2cc(-c3cccc(C)c3)ccc21
InChIInChI=1S/C25H30N2O2/c1-3-4-5-6-7-8-14-27-17-22(24(28)25(26)29)21-16-20(12-13-23(21)27)19-11-9-10-18(2)15-19/h9-13,15-17H,3-8,14H2,1-2H3,(H2,26,29)
InChIKeyYLMXUMDIXRUEEQ-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.65
Rot. Bonds10

About 2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide

2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide (PubChem CID 118283201) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide
PubChem CID118283201
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide
SMILESCCCCCCCCn1cc(C(=O)C(N)=O)c2cc(-c3cccc(C)c3)ccc21
InChIInChI=1S/C25H30N2O2/c1-3-4-5-6-7-8-14-27-17-22(24(28)25(26)29)21-16-20(12-13-23(21)27)19-11-9-10-18(2)15-19/h9-13,15-17H,3-8,14H2,1-2H3,(H2,26,29)
InChIKeyYLMXUMDIXRUEEQ-UHFFFAOYSA-N
XLogP5.65
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide?
The IUPAC name of 2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide (CID 118283201) is 2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide?
The canonical SMILES for 2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide is CCCCCCCCn1cc(C(=O)C(N)=O)c2cc(-c3cccc(C)c3)ccc21.
What is the InChIKey of 2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide?
The InChIKey is YLMXUMDIXRUEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-3-4-5-6-7-8-14-27-17-22(24(28)25(26)29)21-16-20(12-13-23(21)27)19-11-9-10-18(2)15-19/h9-13,15-17H,3-8,14H2,1-2H3,(H2,26,29).
What are the key properties of 2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide?
2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide has a molecular weight of 390.53 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylphenyl)-1-octylindol-3-yl]-2-oxoacetamide is sourced from PubChem (CID 118283201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).