2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide

C26H32N2O2 — CID 11350240

IUPAC2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide
SMILESCCCCCN(CCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H32N2O2/c1-3-5-12-18-28(19-13-6-4-2)26(30)25(29)23-21-16-10-11-17-22(21)27-24(23)20-14-8-7-9-15-20/h7-11,14-17,27H,3-6,12-13,18-19H2,1-2H3
InChIKeyFHQLVDDFLBGDOO-UHFFFAOYSA-N
MW404.55 g/mol
LogP6.23
Rot. Bonds11

About 2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide

2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide (PubChem CID 11350240) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound Name2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide
PubChem CID11350240
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide
SMILESCCCCCN(CCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C26H32N2O2/c1-3-5-12-18-28(19-13-6-4-2)26(30)25(29)23-21-16-10-11-17-22(21)27-24(23)20-14-8-7-9-15-20/h7-11,14-17,27H,3-6,12-13,18-19H2,1-2H3
InChIKeyFHQLVDDFLBGDOO-UHFFFAOYSA-N
XLogP6.23
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-aminophenyl)-1H-indol-3-yl]-N,N-dihexyl-2-oxoacetamide
CID 122183500
2-(5-fluoro-2-phenyl-1H-indol-3-yl)-N,N-dihexyl-2-oxoacetamide
CID 25107779
N,N-dihexyl-2-(7-methyl-2-phenyl-1H-indol-3-yl)-2-oxoacetamide
CID 25107851
N,N-dibutyl-2-(2-naphthalen-2-yl-1H-indol-3-yl)-2-oxoacetamide
CID 122183517
2-[2-(4-nitrophenyl)-1H-indol-3-yl]-2-oxo-N,N-dipropylacetamide
CID 25108097
2-(5-nitro-2-phenyl-1H-indol-3-yl)-2-oxo-N,N-dipropylacetamide
CID 25107713
9H-carbazole;propanoic acid
CID 68841226
2-[2-(2-phenyl-1H-indol-3-yl)ethylamino]octanoic acid
CID 141150284
N,N,N',N'-tetrahexyloxamide
CID 6424911
1-(2-methyl-1H-indol-3-yl)nonan-1-one
CID 65449117
2-chloro-1-(2-phenyl-1H-indol-3-yl)propan-1-one
CID 43140038
N-benzyl-2-[5-chloro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-ethyl-2-oxoacetamide
CID 25107915

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide?
The IUPAC name of 2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide (CID 11350240) is 2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for 2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide?
The canonical SMILES for 2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide is CCCCCN(CCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of 2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide?
The InChIKey is FHQLVDDFLBGDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-3-5-12-18-28(19-13-6-4-2)26(30)25(29)23-21-16-10-11-17-22(21)27-24(23)20-14-8-7-9-15-20/h7-11,14-17,27H,3-6,12-13,18-19H2,1-2H3.
What are the key properties of 2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide?
2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide has a molecular weight of 404.55 g/mol, XLogP of 6.23, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N,N-dipentyl-2-(2-phenyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 11350240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).