N-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide

C24H23N3O4 — CID 3529437

IUPACN-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)c1
InChIInChI=1S/C24H23N3O4/c1-16(28)17-7-6-8-18(13-17)25-24(31)23(30)20-14-27(21-10-3-2-9-19(20)21)15-22(29)26-11-4-5-12-26/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3,(H,25,31)
InChIKeyHZIGSNDDLKDYLY-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.29
Rot. Bonds6

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

N-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 3529437) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID3529437
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC NameN-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCC(=O)c1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)c1
InChIInChI=1S/C24H23N3O4/c1-16(28)17-7-6-8-18(13-17)25-24(31)23(30)20-14-27(21-10-3-2-9-19(20)21)15-22(29)26-11-4-5-12-26/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3,(H,25,31)
InChIKeyHZIGSNDDLKDYLY-UHFFFAOYSA-N
XLogP3.29
TPSA88.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(3-methylphenyl)-2-oxoacetamide
CID 40506678
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(3-fluorophenyl)-2-oxoacetamide
CID 40506680
methyl 4-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]benzoate
CID 3626932
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]-N-(4-fluorophenyl)-2-oxoacetamide
CID 40506681
N-(2-ethylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
CID 4535551
N-(4-acetamidophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 18562361
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 16812432
N-(4-fluorophenyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4085759
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]ethane-1,2-dione
CID 24891905
1-[2-(azepan-1-yl)-2-oxoethyl]indole-3-carboxylic acid
CID 43825868
ethyl 2-[[2-oxo-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]acetyl]amino]acetate
CID 7162391
N-(3-acetamidophenyl)-2-[1-[2-(diethylamino)-2-oxoethyl]indol-3-yl]-2-oxoacetamide
CID 16832346

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (CID 3529437) is N-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is CC(=O)c1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is HZIGSNDDLKDYLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c1-16(28)17-7-6-8-18(13-17)25-24(31)23(30)20-14-27(21-10-3-2-9-19(20)21)15-22(29)26-11-4-5-12-26/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3,(H,25,31).
What are the key properties of N-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
N-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 417.47 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 3529437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).