N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide

C31H31N3O3 — CID 16808104

IUPACN-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C31H31N3O3/c35-29(33-19-9-10-20-33)22-34-21-27(26-15-7-8-16-28(26)34)30(36)31(37)32-18-17-25(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,11-16,21,25H,9-10,17-20,22H2,(H,32,37)
InChIKeyFSTHAEOVXZVPJU-UHFFFAOYSA-N
MW493.61 g/mol
LogP4.78
Rot. Bonds9

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

N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 16808104) has the molecular formula C31H31N3O3 and a molecular weight of 493.61 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID16808104
Molecular FormulaC31H31N3O3
Molecular Weight493.61 g/mol
Exact Mass493.24
IUPAC NameN-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESO=C(NCCC(c1ccccc1)c1ccccc1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C31H31N3O3/c35-29(33-19-9-10-20-33)22-34-21-27(26-15-7-8-16-28(26)34)30(36)31(37)32-18-17-25(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,11-16,21,25H,9-10,17-20,22H2,(H,32,37)
InChIKeyFSTHAEOVXZVPJU-UHFFFAOYSA-N
XLogP4.78
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.61
LogP ≤ 54.78
H-Bond Donors ≤ 51
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-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (CID 16808104) is N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is O=C(NCCC(c1ccccc1)c1ccccc1)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is FSTHAEOVXZVPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H31N3O3/c35-29(33-19-9-10-20-33)22-34-21-27(26-15-7-8-16-28(26)34)30(36)31(37)32-18-17-25(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,11-16,21,25H,9-10,17-20,22H2,(H,32,37).
What are the key properties of N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 493.61 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 16808104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).