1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide

C24H27N3O2 — CID 108750557

IUPAC1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1N1CC(C(=O)NCCn2ccc3ccccc32)CC1=O
InChIInChI=1S/C24H27N3O2/c1-3-18-9-6-7-17(2)23(18)27-16-20(15-22(27)28)24(29)25-12-14-26-13-11-19-8-4-5-10-21(19)26/h4-11,13,20H,3,12,14-16H2,1-2H3,(H,25,29)
InChIKeyRZGCWIWGQSNWDV-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.68
Rot. Bonds6

About 1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide

1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108750557) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108750557
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCc1cccc(C)c1N1CC(C(=O)NCCn2ccc3ccccc32)CC1=O
InChIInChI=1S/C24H27N3O2/c1-3-18-9-6-7-17(2)23(18)27-16-20(15-22(27)28)24(29)25-12-14-26-13-11-19-8-4-5-10-21(19)26/h4-11,13,20H,3,12,14-16H2,1-2H3,(H,25,29)
InChIKeyRZGCWIWGQSNWDV-UHFFFAOYSA-N
XLogP3.68
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 108726452
1-(2,6-dimethylphenyl)-N-[2-(2-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186219
1-(2-ethyl-6-methylphenyl)-N-[2-(1H-imidazol-2-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 122570358
N-(2-ethoxyphenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186469
N-(2,6-dichlorophenyl)-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186499
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
(3R)-1-(2,6-diethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056356
N-cyclohexyl-1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186367
3-[[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 108767721
(3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 29183622
trans-(1S,2R)-2-[[[1-(2-ethyl-6-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 108755851
1-(2-ethyl-6-methylphenyl)-5-oxo-N-[(2-pyridin-4-yl-1,3-thiazol-4-yl)methyl]pyrrolidine-3-carboxamide
CID 108771124

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide (CID 108750557) is 1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide is CCc1cccc(C)c1N1CC(C(=O)NCCn2ccc3ccccc32)CC1=O.
What is the InChIKey of 1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is RZGCWIWGQSNWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-3-18-9-6-7-17(2)23(18)27-16-20(15-22(27)28)24(29)25-12-14-26-13-11-19-8-4-5-10-21(19)26/h4-11,13,20H,3,12,14-16H2,1-2H3,(H,25,29).
What are the key properties of 1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide?
1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-6-methylphenyl)-N-(2-indol-1-ylethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108750557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).