N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

C18H23N3O3 — CID 108726452

IUPACN-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCCn2ccc3ccccc32)CC1=O
InChIInChI=1S/C18H23N3O3/c1-24-11-10-21-13-15(12-17(21)22)18(23)19-7-9-20-8-6-14-4-2-3-5-16(14)20/h2-6,8,15H,7,9-13H2,1H3,(H,19,23)
InChIKeyJZZBXPWKTJUKFU-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.25
Rot. Bonds7

About N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide

N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 108726452) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID108726452
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC NameN-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
SMILESCOCCN1CC(C(=O)NCCn2ccc3ccccc32)CC1=O
InChIInChI=1S/C18H23N3O3/c1-24-11-10-21-13-15(12-17(21)22)18(23)19-7-9-20-8-6-14-4-2-3-5-16(14)20/h2-6,8,15H,7,9-13H2,1H3,(H,19,23)
InChIKeyJZZBXPWKTJUKFU-UHFFFAOYSA-N
XLogP1.25
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide (CID 108726452) is N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is COCCN1CC(C(=O)NCCn2ccc3ccccc32)CC1=O.
What is the InChIKey of N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JZZBXPWKTJUKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-24-11-10-21-13-15(12-17(21)22)18(23)19-7-9-20-8-6-14-4-2-3-5-16(14)20/h2-6,8,15H,7,9-13H2,1H3,(H,19,23).
What are the key properties of N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide?
N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-indol-1-ylethyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 108726452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).