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

C24H35N3O8 — CID 118747286

IUPACN-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCCc1cccc2c(CC(=O)N(C)CCN(C)C)c(C)[nH]c12.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C18H27N3O.C6H8O7/c1-6-14-8-7-9-15-16(13(2)19-18(14)15)12-17(22)21(5)11-10-20(3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-9,19H,6,10-12H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyUQGLTPVYEOLOQI-UHFFFAOYSA-N
MW493.56 g/mol
LogP1.35
Rot. Bonds11

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

N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid (PubChem CID 118747286) has the molecular formula C24H35N3O8 and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
PubChem CID118747286
Molecular FormulaC24H35N3O8
Molecular Weight493.56 g/mol
Exact Mass493.24
IUPAC NameN-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid
SMILESCCc1cccc2c(CC(=O)N(C)CCN(C)C)c(C)[nH]c12.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C18H27N3O.C6H8O7/c1-6-14-8-7-9-15-16(13(2)19-18(14)15)12-17(22)21(5)11-10-20(3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-9,19H,6,10-12H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChIKeyUQGLTPVYEOLOQI-UHFFFAOYSA-N
XLogP1.35
TPSA171.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 51.35
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid (CID 118747286) is N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid is CCc1cccc2c(CC(=O)N(C)CCN(C)C)c(C)[nH]c12.O=C(O)CC(O)(CC(=O)O)C(=O)O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid?
The InChIKey is UQGLTPVYEOLOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.C6H8O7/c1-6-14-8-7-9-15-16(13(2)19-18(14)15)12-17(22)21(5)11-10-20(3)4;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-9,19H,6,10-12H2,1-5H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid?
N-[2-(dimethylamino)ethyl]-2-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid has a molecular weight of 493.56 g/mol, XLogP of 1.35, 11 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-(7-ethyl-2-methyl-1H-indol-3-yl)-N-methylacetamide;2-hydroxypropane-1,2,3-tricarboxylic acid is sourced from PubChem (CID 118747286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).