N-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide

C24H25N3O4 — CID 7162337

IUPACN-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C24H25N3O4/c1-16-9-10-21(31-2)19(13-16)25-24(30)23(29)18-14-27(20-8-4-3-7-17(18)20)15-22(28)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12,15H2,1-2H3,(H,25,30)
InChIKeyFVWNFGDEQLTRKG-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.40
Rot. Bonds6

About N-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide

N-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 7162337) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID7162337
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C24H25N3O4/c1-16-9-10-21(31-2)19(13-16)25-24(30)23(29)18-14-27(20-8-4-3-7-17(18)20)15-22(28)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12,15H2,1-2H3,(H,25,30)
InChIKeyFVWNFGDEQLTRKG-UHFFFAOYSA-N
XLogP3.40
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.40
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

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CID 56841530
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2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
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2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
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1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methoxyphenyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507829
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CID 10454026
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CID 11165673
2-(1H-indol-3-yl)-2-oxo-N-(2-phenoxyethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (CID 7162337) is N-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is COc1ccc(C)cc1NC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of N-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is FVWNFGDEQLTRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-16-9-10-21(31-2)19(13-16)25-24(30)23(29)18-14-27(20-8-4-3-7-17(18)20)15-22(28)26-11-5-6-12-26/h3-4,7-10,13-14H,5-6,11-12,15H2,1-2H3,(H,25,30).
What are the key properties of N-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
N-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 419.48 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-5-methylphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 7162337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).