ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate

C15H20N2O2 — CID 11747350

IUPACethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1CCN(C)C
InChIInChI=1S/C15H20N2O2/c1-4-19-15(18)14-12(9-10-17(2)3)11-7-5-6-8-13(11)16-14/h5-8,16H,4,9-10H2,1-3H3
InChIKeyDHMRDBMKJIHQOM-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.45
Rot. Bonds5

About ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate

ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate (PubChem CID 11747350) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
PubChem CID11747350
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Nameethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1[nH]c2ccccc2c1CCN(C)C
InChIInChI=1S/C15H20N2O2/c1-4-19-15(18)14-12(9-10-17(2)3)11-7-5-6-8-13(11)16-14/h5-8,16H,4,9-10H2,1-3H3
InChIKeyDHMRDBMKJIHQOM-UHFFFAOYSA-N
XLogP2.45
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate 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

2-(2-ethoxycarbonyl-1H-indol-3-yl)ethylazanium chloride
CID 16641200
ethyl 3-(3-oxobutyl)-1H-indole-2-carboxylate
CID 11974884
ethyl 3-(2-ethoxy-2-oxoethyl)-1H-indole-2-carboxylate
CID 11821846
3-[2-(dimethylamino)ethyl]-1H-indol-2-amine
CID 54239513
ethyl 3-(methoxymethyl)-4-oxo-1H-quinoline-2-carboxylate
CID 66789845
(2-ethoxycarbonyl-4-oxo-1H-quinolin-3-yl)methyl-dimethylazanium
CID 7576620
ethyl 3-[(dimethylamino)methyl]-5-methyl-1H-indole-2-carboxylate
CID 938498
ethyl 3-(1,2-dihydroxyethyl)-1H-indole-2-carboxylate
CID 100944788
ethyl 3-[(cyclobutylamino)methyl]-1H-indole-2-carboxylate
CID 156746164
ethyl 3-propan-2-yloxy-1H-indole-2-carboxylate
CID 67372347
3-[4-(2-carbamoyl-1H-indol-3-yl)butyl]-1H-indole-2-carboxamide
CID 175237247
methyl 3-(4-methoxy-4-oxobutyl)-1H-indole-2-carboxylate
CID 68579658

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate (CID 11747350) is ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate is CCOC(=O)c1[nH]c2ccccc2c1CCN(C)C.
What is the InChIKey of ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate?
The InChIKey is DHMRDBMKJIHQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-4-19-15(18)14-12(9-10-17(2)3)11-7-5-6-8-13(11)16-14/h5-8,16H,4,9-10H2,1-3H3.
What are the key properties of ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate?
ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate has a molecular weight of 260.34 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(dimethylamino)ethyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 11747350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).