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

C20H17N3O2 — CID 5196982

IUPAC2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17N3O2/c24-19(16-12-23-18-8-4-2-6-15(16)18)20(25)21-10-9-13-11-22-17-7-3-1-5-14(13)17/h1-8,11-12,22-23H,9-10H2,(H,21,25)
InChIKeyKBMAPSVVTDUGNY-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.19
Rot. Bonds5

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

2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide (PubChem CID 5196982) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
PubChem CID5196982
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C20H17N3O2/c24-19(16-12-23-18-8-4-2-6-15(16)18)20(25)21-10-9-13-11-22-17-7-3-1-5-14(13)17/h1-8,11-12,22-23H,9-10H2,(H,21,25)
InChIKeyKBMAPSVVTDUGNY-UHFFFAOYSA-N
XLogP3.19
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide (CID 5196982) is 2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide is O=C(NCCc1c[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
The InChIKey is KBMAPSVVTDUGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-19(16-12-23-18-8-4-2-6-15(16)18)20(25)21-10-9-13-11-22-17-7-3-1-5-14(13)17/h1-8,11-12,22-23H,9-10H2,(H,21,25).
What are the key properties of 2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide?
2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide has a molecular weight of 331.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N-[2-(1H-indol-3-yl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 5196982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).