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

C23H23N3O4 — CID 3514051

IUPACN-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)c1
InChIInChI=1S/C23H23N3O4/c1-30-17-8-6-7-16(13-17)24-23(29)22(28)19-14-26(20-10-3-2-9-18(19)20)15-21(27)25-11-4-5-12-25/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3,(H,24,29)
InChIKeyUZDAMBBVZNAAGM-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.09
Rot. Bonds6

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

N-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 3514051) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID3514051
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC NameN-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)c1
InChIInChI=1S/C23H23N3O4/c1-30-17-8-6-7-16(13-17)24-23(29)22(28)19-14-26(20-10-3-2-9-18(19)20)15-21(27)25-11-4-5-12-25/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3,(H,24,29)
InChIKeyUZDAMBBVZNAAGM-UHFFFAOYSA-N
XLogP3.09
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.09
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

(4-methoxyphenyl)(1-pentyl-1H-indol-3-yl)methanone
CID 56841530
Jwh 250
CID 44397540
2-(4-Methoxyphenyl)-1-(1-pentylindol-3-YL)ethanone
CID 44397641
6-Methoxy-1-methyl-1H-indole-3-carbaldehyde
CID 1382010
2-(1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 5315108
2-(6-fluoro-1H-indol-3-yl)-N-(4-methoxyphenyl)-2-oxoacetamide
CID 16762233
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1H-indol-3-yl)-2-oxoacetamide
CID 5304336
Arenarine C
CID 188439
3-(5-methoxy-1-methyl-1H-indol-3-yl)-4-(1-methyl-1H-indol-3-yl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 5327674
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(4-methoxyphenyl)-1H-indol-3-yl]ethane-1,2-dione
CID 507829
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-methoxy-N-methyl-1H-indole-7-carboxamide
CID 507967
3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-4-methoxy-1H-indole-7-carboxamide
CID 507980

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (CID 3514051) is N-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is COc1cccc(NC(=O)C(=O)c2cn(CC(=O)N3CCCC3)c3ccccc23)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is UZDAMBBVZNAAGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-30-17-8-6-7-16(13-17)24-23(29)22(28)19-14-26(20-10-3-2-9-18(19)20)15-21(27)25-11-4-5-12-25/h2-3,6-10,13-14H,4-5,11-12,15H2,1H3,(H,24,29).
What are the key properties of N-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
N-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 405.45 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 3514051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).