[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium

C21H24N3O2+ — CID 9045047

IUPAC[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
SMILESCN(C)C(=O)C[NH+](C)CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H23N3O2/c1-23(2)19(26)14-24(3)13-18(25)20-16-11-7-8-12-17(16)22-21(20)15-9-5-4-6-10-15/h4-12,22H,13-14H2,1-3H3/p+1
InChIKeyGJQSSATUQIXVOO-UHFFFAOYSA-O
MW350.44 g/mol
LogP1.62
Rot. Bonds6

About [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium

[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium (PubChem CID 9045047) has the molecular formula C21H24N3O2+ and a molecular weight of 350.44 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
PubChem CID9045047
Molecular FormulaC21H24N3O2+
Molecular Weight350.44 g/mol
Exact Mass350.19
IUPAC Name[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium
SMILESCN(C)C(=O)C[NH+](C)CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12
InChIInChI=1S/C21H23N3O2/c1-23(2)19(26)14-24(3)13-18(25)20-16-11-7-8-12-17(16)22-21(20)15-9-5-4-6-10-15/h4-12,22H,13-14H2,1-3H3/p+1
InChIKeyGJQSSATUQIXVOO-UHFFFAOYSA-O
XLogP1.62
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium 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 [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium (CID 9045047) is [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium is CN(C)C(=O)C[NH+](C)CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
The InChIKey is GJQSSATUQIXVOO-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N3O2/c1-23(2)19(26)14-24(3)13-18(25)20-16-11-7-8-12-17(16)22-21(20)15-9-5-4-6-10-15/h4-12,22H,13-14H2,1-3H3/p+1.
What are the key properties of [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium?
[2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium has a molecular weight of 350.44 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]azanium is sourced from PubChem (CID 9045047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).