N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide

C22H26N4O2 — CID 49499136

IUPACN-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCN(C)CCn1ccc2cc(NC(=O)CNC(=O)Cc3ccccc3)ccc21
InChIInChI=1S/C22H26N4O2/c1-25(2)12-13-26-11-10-18-15-19(8-9-20(18)26)24-22(28)16-23-21(27)14-17-6-4-3-5-7-17/h3-11,15H,12-14,16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyRAFGRKXOWVCIQO-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.50
Rot. Bonds8

About N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide

N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 49499136) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide
PubChem CID49499136
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide
SMILESCN(C)CCn1ccc2cc(NC(=O)CNC(=O)Cc3ccccc3)ccc21
InChIInChI=1S/C22H26N4O2/c1-25(2)12-13-26-11-10-18-15-19(8-9-20(18)26)24-22(28)16-23-21(27)14-17-6-4-3-5-7-17/h3-11,15H,12-14,16H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyRAFGRKXOWVCIQO-UHFFFAOYSA-N
XLogP2.50
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide 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-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide (CID 49499136) is N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide is CN(C)CCn1ccc2cc(NC(=O)CNC(=O)Cc3ccccc3)ccc21.
What is the InChIKey of N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is RAFGRKXOWVCIQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25(2)12-13-26-11-10-18-15-19(8-9-20(18)26)24-22(28)16-23-21(27)14-17-6-4-3-5-7-17/h3-11,15H,12-14,16H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 378.48 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 49499136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).