N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

C24H27N3O3 — CID 46977122

IUPACN-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc(N2CC(NC(=O)Cc3c(C)[nH]c4c(C)cc(C)cc34)CC2=O)cc1
InChIInChI=1S/C24H27N3O3/c1-14-9-15(2)24-21(10-14)20(16(3)25-24)12-22(28)26-17-11-23(29)27(13-17)18-5-7-19(30-4)8-6-18/h5-10,17,25H,11-13H2,1-4H3,(H,26,28)
InChIKeyJMUNRHUITWQFFO-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.57
Rot. Bonds5

About N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide

N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (PubChem CID 46977122) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
PubChem CID46977122
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
SMILESCOc1ccc(N2CC(NC(=O)Cc3c(C)[nH]c4c(C)cc(C)cc34)CC2=O)cc1
InChIInChI=1S/C24H27N3O3/c1-14-9-15(2)24-21(10-14)20(16(3)25-24)12-22(28)26-17-11-23(29)27(13-17)18-5-7-19(30-4)8-6-18/h5-10,17,25H,11-13H2,1-4H3,(H,26,28)
InChIKeyJMUNRHUITWQFFO-UHFFFAOYSA-N
XLogP3.57
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide (CID 46977122) is N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is COc1ccc(N2CC(NC(=O)Cc3c(C)[nH]c4c(C)cc(C)cc34)CC2=O)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
The InChIKey is JMUNRHUITWQFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-14-9-15(2)24-21(10-14)20(16(3)25-24)12-22(28)26-17-11-23(29)27(13-17)18-5-7-19(30-4)8-6-18/h5-10,17,25H,11-13H2,1-4H3,(H,26,28).
What are the key properties of N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide?
N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide has a molecular weight of 405.50 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 46977122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).