2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide

C26H23N3O2 — CID 3895151

IUPAC2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C26H23N3O2/c1-16-11-13-18(14-12-16)28-23(30)15-29-25(19-7-3-4-8-20(19)26(29)31)24-17(2)27-22-10-6-5-9-21(22)24/h3-14,25,27H,15H2,1-2H3,(H,28,30)
InChIKeyNEIUMEZAYTZSFU-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.97
Rot. Bonds4

About 2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide

2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide (PubChem CID 3895151) has the molecular formula C26H23N3O2 and a molecular weight of 409.49 g/mol. Its IUPAC name is 2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide
PubChem CID3895151
Molecular FormulaC26H23N3O2
Molecular Weight409.49 g/mol
Exact Mass409.18
IUPAC Name2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN2C(=O)c3ccccc3C2c2c(C)[nH]c3ccccc23)cc1
InChIInChI=1S/C26H23N3O2/c1-16-11-13-18(14-12-16)28-23(30)15-29-25(19-7-3-4-8-20(19)26(29)31)24-17(2)27-22-10-6-5-9-21(22)24/h3-14,25,27H,15H2,1-2H3,(H,28,30)
InChIKeyNEIUMEZAYTZSFU-UHFFFAOYSA-N
XLogP4.97
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide (CID 3895151) is 2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2c2c(C)[nH]c3ccccc23)cc1.
What is the InChIKey of 2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide?
The InChIKey is NEIUMEZAYTZSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O2/c1-16-11-13-18(14-12-16)28-23(30)15-29-25(19-7-3-4-8-20(19)26(29)31)24-17(2)27-22-10-6-5-9-21(22)24/h3-14,25,27H,15H2,1-2H3,(H,28,30).
What are the key properties of 2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide?
2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide has a molecular weight of 409.49 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methyl-1H-indol-3-yl)-3-oxo-1H-isoindol-2-yl]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 3895151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).