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

C25H27N3O4 — CID 16801353

IUPACN-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C25H27N3O4/c1-32-22-11-5-2-8-18(22)12-13-26-25(31)24(30)20-16-28(21-10-4-3-9-19(20)21)17-23(29)27-14-6-7-15-27/h2-5,8-11,16H,6-7,12-15,17H2,1H3,(H,26,31)
InChIKeyWRURVBDMDGHCSJ-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.81
Rot. Bonds8

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

N-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (PubChem CID 16801353) has the molecular formula C25H27N3O4 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
PubChem CID16801353
Molecular FormulaC25H27N3O4
Molecular Weight433.51 g/mol
Exact Mass433.20
IUPAC NameN-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide
SMILESCOc1ccccc1CCNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C25H27N3O4/c1-32-22-11-5-2-8-18(22)12-13-26-25(31)24(30)20-16-28(21-10-4-3-9-19(20)21)17-23(29)27-14-6-7-15-27/h2-5,8-11,16H,6-7,12-15,17H2,1H3,(H,26,31)
InChIKeyWRURVBDMDGHCSJ-UHFFFAOYSA-N
XLogP2.81
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The IUPAC name of N-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide (CID 16801353) is N-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide.
What is the SMILES notation for N-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The canonical SMILES for N-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is COc1ccccc1CCNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of N-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
The InChIKey is WRURVBDMDGHCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O4/c1-32-22-11-5-2-8-18(22)12-13-26-25(31)24(30)20-16-28(21-10-4-3-9-19(20)21)17-23(29)27-14-6-7-15-27/h2-5,8-11,16H,6-7,12-15,17H2,1H3,(H,26,31).
What are the key properties of N-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide?
N-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide has a molecular weight of 433.51 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyphenyl)ethyl]-2-oxo-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]acetamide is sourced from PubChem (CID 16801353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).