N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide

C18H13N3O3 — CID 17080239

IUPACN-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H13N3O3/c22-16(11-20-10-9-12-5-1-4-8-15(12)20)19-21-17(23)13-6-2-3-7-14(13)18(21)24/h1-10H,11H2,(H,19,22)
InChIKeyYMQKOXQFOUAMGJ-UHFFFAOYSA-N
MW319.32 g/mol
LogP1.97
Rot. Bonds3

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

N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide (PubChem CID 17080239) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide
PubChem CID17080239
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide
SMILESO=C(Cn1ccc2ccccc21)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H13N3O3/c22-16(11-20-10-9-12-5-1-4-8-15(12)20)19-21-17(23)13-6-2-3-7-14(13)18(21)24/h1-10H,11H2,(H,19,22)
InChIKeyYMQKOXQFOUAMGJ-UHFFFAOYSA-N
XLogP1.97
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 51.97
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

2-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)acetamide
CID 110732646
3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
CID 108750509
N-tert-butyl-2-indol-1-ylacetamide
CID 47348922
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N-(benzenesulfonyl)-2-indol-1-ylacetamide
CID 87044187
N'-(2-indol-1-ylacetyl)-2-phenylacetohydrazide
CID 17080293
N-(cyanomethyl)-2-indol-1-ylacetamide
CID 55220475
N'-(2-indol-1-ylacetyl)-2,2-diphenylacetohydrazide
CID 17080273
potassium 2-indol-1-ylacetate
CID 172851034
(2R)-2-[(2-indol-1-ylacetyl)amino]-2-phenylacetic acid
CID 45491721
2-[(2-indol-1-ylacetyl)amino]butanoic acid
CID 119223861
2-[[(2-indol-1-ylacetyl)amino]carbamoyl]benzoic acid
CID 17080252

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide (CID 17080239) is N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide is O=C(Cn1ccc2ccccc21)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide?
The InChIKey is YMQKOXQFOUAMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-16(11-20-10-9-12-5-1-4-8-15(12)20)19-21-17(23)13-6-2-3-7-14(13)18(21)24/h1-10H,11H2,(H,19,22).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide?
N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide has a molecular weight of 319.32 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide is sourced from PubChem (CID 17080239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).