3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride

C22H27ClN2O2 — CID 10500398

IUPAC3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride
SMILESCCOC(=O)c1c(-c2ccccc2)c2ccccc2n1CCC[NH+](C)C.[Cl-]
InChIInChI=1S/C22H26N2O2.ClH/c1-4-26-22(25)21-20(17-11-6-5-7-12-17)18-13-8-9-14-19(18)24(21)16-10-15-23(2)3;/h5-9,11-14H,4,10,15-16H2,1-3H3;1H
InChIKeyUPSGDFJPYZVDAH-UHFFFAOYSA-N
MW386.92 g/mol
LogP0.02
Rot. Bonds7

About 3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride

3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride (PubChem CID 10500398) has the molecular formula C22H27ClN2O2 and a molecular weight of 386.92 g/mol. Its IUPAC name is 3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride.

Molecular Properties

Compound Name3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride
PubChem CID10500398
Molecular FormulaC22H27ClN2O2
Molecular Weight386.92 g/mol
Exact Mass386.18
IUPAC Name3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride
SMILESCCOC(=O)c1c(-c2ccccc2)c2ccccc2n1CCC[NH+](C)C.[Cl-]
InChIInChI=1S/C22H26N2O2.ClH/c1-4-26-22(25)21-20(17-11-6-5-7-12-17)18-13-8-9-14-19(18)24(21)16-10-15-23(2)3;/h5-9,11-14H,4,10,15-16H2,1-3H3;1H
InChIKeyUPSGDFJPYZVDAH-UHFFFAOYSA-N
XLogP0.02
TPSA35.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.92
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride 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

ethyl 3-(2,3-dimethylphenyl)-1-(3-naphthalen-1-yloxypropyl)indole-2-carboxylate
CID 67316661
ethyl 1-[(3-bromophenyl)methyl]-3-(4-tert-butylphenyl)indole-2-carboxylate
CID 59494010
ethyl 3-(4-butylsulfanylphenyl)-1-methylindole-2-carboxylate
CID 142136275
ethyl 1-(2-bromoethyl)-3-methoxyindole-2-carboxylate
CID 10806019
ethyl 5-chloro-1-(cyclopropylmethyl)-3-phenylindole-2-carboxylate
CID 154106631
ethyl 4-[(1-butyl-3-methylindole-2-carbonyl)amino]benzoate
CID 110501209
ethyl 3-(4-tert-butylphenyl)-1-[(3-hydroxyphenyl)methyl]indole-2-carboxylate
CID 59066129
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
ethyl 1-benzoyl-3-bromoindole-2-carboxylate
CID 68975642
ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate
CID 121004582
ethane;ethyl 1,3-dimethylindole-2-carboxylate
CID 90852450
diethyl 1-benzyl-5-methyl-3-phenylpyrrole-2,4-dicarboxylate
CID 67238833

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride?
The IUPAC name of 3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride (CID 10500398) is 3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride.
What is the SMILES notation for 3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride?
The canonical SMILES for 3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride is CCOC(=O)c1c(-c2ccccc2)c2ccccc2n1CCC[NH+](C)C.[Cl-].
What is the InChIKey of 3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride?
The InChIKey is UPSGDFJPYZVDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2.ClH/c1-4-26-22(25)21-20(17-11-6-5-7-12-17)18-13-8-9-14-19(18)24(21)16-10-15-23(2)3;/h5-9,11-14H,4,10,15-16H2,1-3H3;1H.
What are the key properties of 3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride?
3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride has a molecular weight of 386.92 g/mol, XLogP of 0.02, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxycarbonyl-3-phenylindol-1-yl)propyl-dimethylazanium chloride is sourced from PubChem (CID 10500398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).