1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide

C24H28N4O3 — CID 53160076

IUPAC1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCc3c(C(=O)NCCCN4CCCC4=O)cccc32)cc1
InChIInChI=1S/C24H28N4O3/c1-17-8-10-18(11-9-17)26-24(31)28-16-12-19-20(5-2-6-21(19)28)23(30)25-13-4-15-27-14-3-7-22(27)29/h2,5-6,8-11H,3-4,7,12-16H2,1H3,(H,25,30)(H,26,31)
InChIKeyWURCOMICYMVJKK-UHFFFAOYSA-N
MW420.51 g/mol
LogP3.33
Rot. Bonds6

About 1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide

1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide (PubChem CID 53160076) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide
PubChem CID53160076
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide
SMILESCc1ccc(NC(=O)N2CCc3c(C(=O)NCCCN4CCCC4=O)cccc32)cc1
InChIInChI=1S/C24H28N4O3/c1-17-8-10-18(11-9-17)26-24(31)28-16-12-19-20(5-2-6-21(19)28)23(30)25-13-4-15-27-14-3-7-22(27)29/h2,5-6,8-11H,3-4,7,12-16H2,1H3,(H,25,30)(H,26,31)
InChIKeyWURCOMICYMVJKK-UHFFFAOYSA-N
XLogP3.33
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-(4-methylphenyl)-4-N-(2-methylpropyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160081
4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
CID 53160123
N-(4-methylphenyl)-3-oxo-4-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]-2H-quinoxaline-1-carboxamide
CID 53091004
4-N-[(2S)-butan-2-yl]-1-N-(4-methylphenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 95100010
3-acetamido-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 30482762
N-[2-methyl-5-[3-(2-oxopyrrolidin-1-yl)propylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 130372707
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
2-methoxy-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 78802433
2-methyl-N-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethyl]benzamide
CID 46522177
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
4-N-tert-butyl-1-N-(4-fluorophenyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160112

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide?
The IUPAC name of 1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide (CID 53160076) is 1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide?
The canonical SMILES for 1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide is Cc1ccc(NC(=O)N2CCc3c(C(=O)NCCCN4CCCC4=O)cccc32)cc1.
What is the InChIKey of 1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide?
The InChIKey is WURCOMICYMVJKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17-8-10-18(11-9-17)26-24(31)28-16-12-19-20(5-2-6-21(19)28)23(30)25-13-4-15-27-14-3-7-22(27)29/h2,5-6,8-11H,3-4,7,12-16H2,1H3,(H,25,30)(H,26,31).
What are the key properties of 1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide?
1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide has a molecular weight of 420.51 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methylphenyl)-4-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2,3-dihydroindole-1,4-dicarboxamide is sourced from PubChem (CID 53160076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).