N-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid

C23H33N3O8 — CID 118747289

IUPACN-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCc1[nH]c2c(C)cccc2c1CC(=O)N(C)CCN(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C17H25N3O.C6H8O7/c1-12-7-6-8-14-15(13(2)18-17(12)14)11-16(21)20(5)10-9-19(3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8,18H,9-11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyWTMJAMAJPYNCDG-UHFFFAOYSA-N
MW479.53 g/mol
LogP1.10
Rot. Bonds10

About N-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid

N-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 118747289) has the molecular formula C23H33N3O8 and a molecular weight of 479.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID118747289
Molecular FormulaC23H33N3O8
Molecular Weight479.53 g/mol
Exact Mass479.23
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCc1[nH]c2c(C)cccc2c1CC(=O)N(C)CCN(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C17H25N3O.C6H8O7/c1-12-7-6-8-14-15(13(2)18-17(12)14)11-16(21)20(5)10-9-19(3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8,18H,9-11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyWTMJAMAJPYNCDG-UHFFFAOYSA-N
XLogP1.10
TPSA171.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.53
LogP ≤ 51.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid 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-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 118747289) is N-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid is Cc1[nH]c2c(C)cccc2c1CC(=O)N(C)CCN(C)C.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is WTMJAMAJPYNCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.C6H8O7/c1-12-7-6-8-14-15(13(2)18-17(12)14)11-16(21)20(5)10-9-19(3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h6-8,18H,9-11H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid?
N-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 479.53 g/mol, XLogP of 1.10, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-(2,7-dimethyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 118747289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).