2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide

C20H17N3O3 — CID 110732646

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCCn1ccc2ccccc21
InChIInChI=1S/C20H17N3O3/c24-18(13-23-19(25)15-6-2-3-7-16(15)20(23)26)21-10-12-22-11-9-14-5-1-4-8-17(14)22/h1-9,11H,10,12-13H2,(H,21,24)
InChIKeyKIBDPYDLZHPNPN-UHFFFAOYSA-N
MW347.37 g/mol
LogP2.05
Rot. Bonds5

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide (PubChem CID 110732646) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
PubChem CID110732646
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
SMILESO=C(CN1C(=O)c2ccccc2C1=O)NCCn1ccc2ccccc21
InChIInChI=1S/C20H17N3O3/c24-18(13-23-19(25)15-6-2-3-7-16(15)20(23)26)21-10-12-22-11-9-14-5-1-4-8-17(14)22/h1-9,11H,10,12-13H2,(H,21,24)
InChIKeyKIBDPYDLZHPNPN-UHFFFAOYSA-N
XLogP2.05
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
CID 108750509
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-indol-1-ylethyl)acetamide
CID 108811505
N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide
CID 17080239
N-(3-indol-1-ylpropyl)-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55378394
N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 53368524
2,2,2-trifluoro-N-(2-indol-1-ylethyl)acetamide
CID 108750477
N-(2-indol-1-ylethyl)-4-phenylbenzamide
CID 4251768
N-(2-acetamidoethyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 110756132
N-[2-(4-cyclopropyl-6-oxopyrimidin-1-yl)ethyl]-2-indol-1-ylacetamide
CID 121120020
2-(1,3-dioxoisoindol-2-yl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121253
(E)-N-(2-indol-1-ylethyl)but-2-enamide
CID 108750473
1-benzyl-3-(2-indol-1-ylethyl)urea
CID 110748972

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide (CID 110732646) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide is O=C(CN1C(=O)c2ccccc2C1=O)NCCn1ccc2ccccc21.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide?
The InChIKey is KIBDPYDLZHPNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c24-18(13-23-19(25)15-6-2-3-7-16(15)20(23)26)21-10-12-22-11-9-14-5-1-4-8-17(14)22/h1-9,11H,10,12-13H2,(H,21,24).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide has a molecular weight of 347.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide is sourced from PubChem (CID 110732646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).