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

C25H32N2O — CID 6918831

IUPAC2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide
SMILESCCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(C)c3)ccc21
InChIInChI=1S/C25H32N2O/c1-3-4-5-6-7-8-14-27-18-22(17-25(26)28)23-16-21(12-13-24(23)27)20-11-9-10-19(2)15-20/h9-13,15-16,18H,3-8,14,17H2,1-2H3,(H2,26,28)
InChIKeyQIXBOOVPFRZHQQ-UHFFFAOYSA-N
MW376.54 g/mol
LogP6.01
Rot. Bonds10

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

2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide (PubChem CID 6918831) has the molecular formula C25H32N2O and a molecular weight of 376.54 g/mol. Its IUPAC name is 2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide.

Molecular Properties

Compound Name2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide
PubChem CID6918831
Molecular FormulaC25H32N2O
Molecular Weight376.54 g/mol
Exact Mass376.25
IUPAC Name2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide
SMILESCCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(C)c3)ccc21
InChIInChI=1S/C25H32N2O/c1-3-4-5-6-7-8-14-27-18-22(17-25(26)28)23-16-21(12-13-24(23)27)20-11-9-10-19(2)15-20/h9-13,15-16,18H,3-8,14,17H2,1-2H3,(H2,26,28)
InChIKeyQIXBOOVPFRZHQQ-UHFFFAOYSA-N
XLogP6.01
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methylphenyl)-1-octylindol-3-yl]acetamide?
The IUPAC name of 2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide (CID 6918831) is 2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide.
What is the SMILES notation for 2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide?
The canonical SMILES for 2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide is CCCCCCCCn1cc(CC(N)=O)c2cc(-c3cccc(C)c3)ccc21.
What is the InChIKey of 2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide?
The InChIKey is QIXBOOVPFRZHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O/c1-3-4-5-6-7-8-14-27-18-22(17-25(26)28)23-16-21(12-13-24(23)27)20-11-9-10-19(2)15-20/h9-13,15-16,18H,3-8,14,17H2,1-2H3,(H2,26,28).
What are the key properties of 2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide?
2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide has a molecular weight of 376.54 g/mol, XLogP of 6.01, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-methylphenyl)-1-octylindol-3-yl]acetamide is sourced from PubChem (CID 6918831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).