2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

C22H21N3O2 — CID 1095440

IUPAC2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)c1cn(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C22H21N3O2/c1-15(26)19-13-25(21-9-5-3-7-18(19)21)14-22(27)23-11-10-16-12-24-20-8-4-2-6-17(16)20/h2-9,12-13,24H,10-11,14H2,1H3,(H,23,27)
InChIKeyNUQRUEHODYWRSC-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.68
Rot. Bonds6

About 2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 1095440) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID1095440
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESCC(=O)c1cn(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc12
InChIInChI=1S/C22H21N3O2/c1-15(26)19-13-25(21-9-5-3-7-18(19)21)14-22(27)23-11-10-16-12-24-20-8-4-2-6-17(16)20/h2-9,12-13,24H,10-11,14H2,1H3,(H,23,27)
InChIKeyNUQRUEHODYWRSC-UHFFFAOYSA-N
XLogP3.68
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide 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

Indoramin
CID 33625
3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Macimorelin
CID 9804938
LY-517717
CID 9939865
1-((N-Methyl-2-piperidinyl)methyl)-3-(2-iodobenzoyl)-1H-indole
CID 10226340
Bisindolylmaleimide VIII
CID 2403
FG-7142
CID 4375
CP-409092
CID 9839190
Indoramin hydrochloride
CID 38102
3-Acetylindole
CID 12802
Tryptamide
CID 65768
1H-indole-3-carboxamide
CID 2192542

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 1095440) is 2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is CC(=O)c1cn(CC(=O)NCCc2c[nH]c3ccccc23)c2ccccc12.
What is the InChIKey of 2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is NUQRUEHODYWRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-15(26)19-13-25(21-9-5-3-7-18(19)21)14-22(27)23-11-10-16-12-24-20-8-4-2-6-17(16)20/h2-9,12-13,24H,10-11,14H2,1H3,(H,23,27).
What are the key properties of 2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 359.43 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylindol-1-yl)-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 1095440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).