N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

C25H29N3O3 — CID 46277131

IUPACN-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2c(N3CCCC3=O)c3cc(C)ccc3n2C)cc1
InChIInChI=1S/C25H29N3O3/c1-4-31-19-10-8-18(9-11-19)13-14-26-25(30)24-23(28-15-5-6-22(28)29)20-16-17(2)7-12-21(20)27(24)3/h7-12,16H,4-6,13-15H2,1-3H3,(H,26,30)
InChIKeyBPMWGQPRKOHFJB-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.98
Rot. Bonds7

About N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide

N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (PubChem CID 46277131) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
PubChem CID46277131
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
SMILESCCOc1ccc(CCNC(=O)c2c(N3CCCC3=O)c3cc(C)ccc3n2C)cc1
InChIInChI=1S/C25H29N3O3/c1-4-31-19-10-8-18(9-11-19)13-14-26-25(30)24-23(28-15-5-6-22(28)29)20-16-17(2)7-12-21(20)27(24)3/h7-12,16H,4-6,13-15H2,1-3H3,(H,26,30)
InChIKeyBPMWGQPRKOHFJB-UHFFFAOYSA-N
XLogP3.98
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methoxy-1-methyl-N-[2-(4-methylphenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277076
N-[2-(4-chlorophenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277095
N-(4-ethoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915906
N-(4-ethoxyphenyl)-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915835
1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277103
N-(4-methoxyphenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915892
5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)-N-propylindole-2-carboxamide
CID 20915763
N-(4-acetamidophenyl)-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277117
N-[(4-chlorophenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915816
N-[(3,4-dimethoxyphenyl)methyl]-5-methoxy-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915872
N-[(4-ethoxy-3-methoxyphenyl)methyl]-5-fluoro-1-methyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 46277068
5-fluoro-1-methyl-N-[(3-methylphenyl)methyl]-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide
CID 20915765

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The IUPAC name of N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide (CID 46277131) is N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide.
What is the SMILES notation for N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The canonical SMILES for N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is CCOc1ccc(CCNC(=O)c2c(N3CCCC3=O)c3cc(C)ccc3n2C)cc1.
What is the InChIKey of N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
The InChIKey is BPMWGQPRKOHFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-4-31-19-10-8-18(9-11-19)13-14-26-25(30)24-23(28-15-5-6-22(28)29)20-16-17(2)7-12-21(20)27(24)3/h7-12,16H,4-6,13-15H2,1-3H3,(H,26,30).
What are the key properties of N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide?
N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethoxyphenyl)ethyl]-1,5-dimethyl-3-(2-oxopyrrolidin-1-yl)indole-2-carboxamide is sourced from PubChem (CID 46277131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).