N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

C24H27N3O2 — CID 51361531

IUPACN-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(C)CCC(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C24H27N3O2/c1-16-7-6-8-17(2)22(16)26-23(29)24(3)13-11-21(28)27(24)14-12-18-15-25-20-10-5-4-9-19(18)20/h4-10,15,25H,11-14H2,1-3H3,(H,26,29)
InChIKeyXXPDOPKDAUFEDT-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.35
Rot. Bonds5

About N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide

N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (PubChem CID 51361531) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
PubChem CID51361531
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
SMILESCc1cccc(C)c1NC(=O)C1(C)CCC(=O)N1CCc1c[nH]c2ccccc12
InChIInChI=1S/C24H27N3O2/c1-16-7-6-8-17(2)22(16)26-23(29)24(3)13-11-21(28)27(24)14-12-18-15-25-20-10-5-4-9-19(18)20/h4-10,15,25H,11-14H2,1-3H3,(H,26,29)
InChIKeyXXPDOPKDAUFEDT-UHFFFAOYSA-N
XLogP4.35
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide
CID 51361539
N-(2,6-dimethylphenyl)-4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carboxamide
CID 113109766
N-(2,3-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184916
N-(2,6-dimethylphenyl)-6-[2-(1H-indol-3-yl)ethylamino]-2-methylpyrimidine-4-carboxamide
CID 109372692
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
N-(2,4-dimethoxyphenyl)-4-[2-(1H-indol-3-yl)ethyl]-3-methyl-5-oxo-2H-1,4-benzothiazepine-3-carboxamide
CID 121238219
4-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-(4-morpholin-4-ylphenyl)-5-oxo-2H-1,4-benzothiazepine-3-carboxamide
CID 121238218
N-(2,6-dimethylphenyl)-2-[4-[4-(1H-indol-3-yl)butanoyl]piperazin-1-yl]acetamide
CID 46655104
4-[2-(1H-indol-3-yl)ethyl]-8-methyl-1-thia-4,8-diazaspiro[4.5]decan-3-one
CID 87890526
(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 6967212
2-[2-(1H-indol-3-yl)ethylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 109002334

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide (CID 51361531) is N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is Cc1cccc(C)c1NC(=O)C1(C)CCC(=O)N1CCc1c[nH]c2ccccc12.
What is the InChIKey of N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
The InChIKey is XXPDOPKDAUFEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-16-7-6-8-17(2)22(16)26-23(29)24(3)13-11-21(28)27(24)14-12-18-15-25-20-10-5-4-9-19(18)20/h4-10,15,25H,11-14H2,1-3H3,(H,26,29).
What are the key properties of N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide?
N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-2-methyl-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 51361531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).