About N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene
N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene (PubChem CID 145164191) has the molecular formula C31H37N3O4
and a molecular weight of 515.65 g/mol. Its IUPAC name is N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene.
Molecular Properties
| Compound Name | N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene |
|---|
| PubChem CID | 145164191 |
|---|
| Molecular Formula | C31H37N3O4 |
|---|
| Molecular Weight | 515.65 g/mol |
|---|
| Exact Mass | 515.28 |
|---|
| IUPAC Name | N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene |
|---|
| SMILES | Cc1ccc2[nH]c(C(=O)N(CC=O)CCN(C)Cc3ccc(OCCO)cc3)cc2c1.Cc1ccccc1 |
|---|
| InChI | InChI=1S/C24H29N3O4.C7H8/c1-18-3-8-22-20(15-18)16-23(25-22)24(30)27(11-12-28)10-9-26(2)17-19-4-6-21(7-5-19)31-14-13-29;1-7-5-3-2-4-6-7/h3-8,12,15-16,25,29H,9-11,13-14,17H2,1-2H3;2-6H,1H3 |
|---|
| InChIKey | YMAHZEFKMSVEMV-UHFFFAOYSA-N |
|---|
| XLogP | 4.62 |
|---|
| TPSA | 85.87 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 5 |
|---|
| Rotatable Bonds | 11 |
|---|
| Heavy Atoms | 38 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 515.65 |
| LogP ≤ 5 | 4.62 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'} |
|---|
Analyze N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene?
The IUPAC name of N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene (CID 145164191) is N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene.
What is the SMILES notation for N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene?
The canonical SMILES for N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene is Cc1ccc2[nH]c(C(=O)N(CC=O)CCN(C)Cc3ccc(OCCO)cc3)cc2c1.Cc1ccccc1.
What is the InChIKey of N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene?
The InChIKey is YMAHZEFKMSVEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4.C7H8/c1-18-3-8-22-20(15-18)16-23(25-22)24(30)27(11-12-28)10-9-26(2)17-19-4-6-21(7-5-19)31-14-13-29;1-7-5-3-2-4-6-7/h3-8,12,15-16,25,29H,9-11,13-14,17H2,1-2H3;2-6H,1H3.
What are the key properties of N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene?
N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene has a molecular weight of 515.65 g/mol, XLogP of 4.62, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]ethyl]-5-methyl-N-(2-oxoethyl)-1H-indole-2-carboxamide;toluene is sourced from PubChem (CID 145164191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).