2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide

C22H23N3O2 — CID 131933787

IUPAC2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1cccc(N2C(=O)CCC2C)c1
InChIInChI=1S/C22H23N3O2/c1-14-10-11-22(27)25(14)17-7-5-6-16(12-17)24-21(26)13-19-15(2)23-20-9-4-3-8-18(19)20/h3-9,12,14,23H,10-11,13H2,1-2H3,(H,24,26)
InChIKeyYQVZEXPXUUIPHL-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.17
Rot. Bonds4

About 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide

2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 131933787) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID131933787
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1cccc(N2C(=O)CCC2C)c1
InChIInChI=1S/C22H23N3O2/c1-14-10-11-22(27)25(14)17-7-5-6-16(12-17)24-21(26)13-19-15(2)23-20-9-4-3-8-18(19)20/h3-9,12,14,23H,10-11,13H2,1-2H3,(H,24,26)
InChIKeyYQVZEXPXUUIPHL-UHFFFAOYSA-N
XLogP4.17
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.17
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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Related Compounds

2-(2-methyl-1H-indol-3-yl)-N-[3-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 32534114
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N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]-3-pyrazol-1-ylpropanamide
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3-(1H-indol-3-yl)-N-[4-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]propanamide
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1-[(1-hydroxycyclohexyl)methyl]-3-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]urea
CID 118775470
2-(2-methyl-1H-indol-3-yl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 31996620
N-[2-(cyclopropylamino)-2-oxoethyl]-2-(2-methyl-1H-indol-3-yl)acetamide
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N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
2-(2-methyl-1H-indol-3-yl)-N-(6-methyl-2-pyridinyl)acetamide
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N-[3-[(2S)-2-methyl-5-oxopyrrolidin-1-yl]phenyl]-4-(methylsulfanylmethyl)piperidine-1-carboxamide
CID 97455512
6-fluoro-2-methyl-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]quinoline-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide (CID 131933787) is 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide is Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc(N2C(=O)CCC2C)c1.
What is the InChIKey of 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is YQVZEXPXUUIPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-14-10-11-22(27)25(14)17-7-5-6-16(12-17)24-21(26)13-19-15(2)23-20-9-4-3-8-18(19)20/h3-9,12,14,23H,10-11,13H2,1-2H3,(H,24,26).
What are the key properties of 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 361.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1H-indol-3-yl)-N-[3-(2-methyl-5-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 131933787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).