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

C24H25N3O3 — CID 7162313

IUPACN-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1
InChIInChI=1S/C24H25N3O3/c1-17-8-10-18(11-9-17)14-25-24(30)23(29)20-15-27(21-7-3-2-6-19(20)21)16-22(28)26-12-4-5-13-26/h2-3,6-11,15H,4-5,12-14,16H2,1H3,(H,25,30)
InChIKeyWWVWAMXLLJSJHB-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.07
Rot. Bonds6

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

N-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 7162313) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID7162313
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC NameN-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1
InChIInChI=1S/C24H25N3O3/c1-17-8-10-18(11-9-17)14-25-24(30)23(29)20-15-27(21-7-3-2-6-19(20)21)16-22(28)26-12-4-5-13-26/h2-3,6-11,15H,4-5,12-14,16H2,1H3,(H,25,30)
InChIKeyWWVWAMXLLJSJHB-UHFFFAOYSA-N
XLogP3.07
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (CID 7162313) is N-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is Cc1ccc(CNC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is WWVWAMXLLJSJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-17-8-10-18(11-9-17)14-25-24(30)23(29)20-15-27(21-7-3-2-6-19(20)21)16-22(28)26-12-4-5-13-26/h2-3,6-11,15H,4-5,12-14,16H2,1H3,(H,25,30).
What are the key properties of N-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
N-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 7162313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).