N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide

C19H20N2O2 — CID 2563179

IUPACN-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C19H20N2O2/c1-4-23-18-8-6-5-7-17(18)21-19(22)14-9-10-16-15(11-14)12(2)13(3)20-16/h5-11,20H,4H2,1-3H3,(H,21,22)
InChIKeyAIRHLBOLIOYUIK-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.44
Rot. Bonds4

About N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide

N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide (PubChem CID 2563179) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
PubChem CID2563179
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC NameN-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1
InChIInChI=1S/C19H20N2O2/c1-4-23-18-8-6-5-7-17(18)21-19(22)14-9-10-16-15(11-14)12(2)13(3)20-16/h5-11,20H,4H2,1-3H3,(H,21,22)
InChIKeyAIRHLBOLIOYUIK-UHFFFAOYSA-N
XLogP4.44
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide 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-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide (CID 2563179) is N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide is CCOc1ccccc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1.
What is the InChIKey of N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
The InChIKey is AIRHLBOLIOYUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-4-23-18-8-6-5-7-17(18)21-19(22)14-9-10-16-15(11-14)12(2)13(3)20-16/h5-11,20H,4H2,1-3H3,(H,21,22).
What are the key properties of N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide?
N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide has a molecular weight of 308.38 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2,3-dimethyl-1H-indole-5-carboxamide is sourced from PubChem (CID 2563179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).