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

C25H27N3O3 — CID 24891932

IUPACN-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C25H27N3O3/c1-2-26(16-19-10-4-3-5-11-19)25(31)24(30)21-17-28(22-13-7-6-12-20(21)22)18-23(29)27-14-8-9-15-27/h3-7,10-13,17H,2,8-9,14-16,18H2,1H3
InChIKeySDHDQZPCLWACLC-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.50
Rot. Bonds7

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

N-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 24891932) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID24891932
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC NameN-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C25H27N3O3/c1-2-26(16-19-10-4-3-5-11-19)25(31)24(30)21-17-28(22-13-7-6-12-20(21)22)18-23(29)27-14-8-9-15-27/h3-7,10-13,17H,2,8-9,14-16,18H2,1H3
InChIKeySDHDQZPCLWACLC-UHFFFAOYSA-N
XLogP3.50
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (CID 24891932) is N-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is CCN(Cc1ccccc1)C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of N-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is SDHDQZPCLWACLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-2-26(16-19-10-4-3-5-11-19)25(31)24(30)21-17-28(22-13-7-6-12-20(21)22)18-23(29)27-14-8-9-15-27/h3-7,10-13,17H,2,8-9,14-16,18H2,1H3.
What are the key properties of N-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
N-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 417.51 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-ethyl-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 24891932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).