3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate

C22H20N2O3 — CID 86121023

IUPAC3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2O3/c25-21(11-9-15-13-23-19-7-3-1-5-17(15)19)27-22(26)12-10-16-14-24-20-8-4-2-6-18(16)20/h1-8,13-14,23-24H,9-12H2
InChIKeyFAYNKXWLXAHWMO-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.28
Rot. Bonds6

About 3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate

3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate (PubChem CID 86121023) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate.

Molecular Properties

Compound Name3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate
PubChem CID86121023
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC Name3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate
SMILESO=C(CCc1c[nH]c2ccccc12)OC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C22H20N2O3/c25-21(11-9-15-13-23-19-7-3-1-5-17(15)19)27-22(26)12-10-16-14-24-20-8-4-2-6-18(16)20/h1-8,13-14,23-24H,9-12H2
InChIKeyFAYNKXWLXAHWMO-UHFFFAOYSA-N
XLogP4.28
TPSA74.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate 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 3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate?
The IUPAC name of 3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate (CID 86121023) is 3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate.
What is the SMILES notation for 3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate?
The canonical SMILES for 3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate is O=C(CCc1c[nH]c2ccccc12)OC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate?
The InChIKey is FAYNKXWLXAHWMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-21(11-9-15-13-23-19-7-3-1-5-17(15)19)27-22(26)12-10-16-14-24-20-8-4-2-6-18(16)20/h1-8,13-14,23-24H,9-12H2.
What are the key properties of 3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate?
3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate has a molecular weight of 360.41 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)propanoyl 3-(1H-indol-3-yl)propanoate is sourced from PubChem (CID 86121023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).