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

C21H19N3O3 — CID 108750509

IUPAC3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCCn1ccc2ccccc21
InChIInChI=1S/C21H19N3O3/c25-19(22-11-14-23-12-9-15-5-1-4-8-18(15)23)10-13-24-20(26)16-6-2-3-7-17(16)21(24)27/h1-9,12H,10-11,13-14H2,(H,22,25)
InChIKeyKNIFWNONRGFHDW-UHFFFAOYSA-N
MW361.40 g/mol
LogP2.44
Rot. Bonds6

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

3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide (PubChem CID 108750509) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
PubChem CID108750509
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide
SMILESO=C(CCN1C(=O)c2ccccc2C1=O)NCCn1ccc2ccccc21
InChIInChI=1S/C21H19N3O3/c25-19(22-11-14-23-12-9-15-5-1-4-8-18(15)23)10-13-24-20(26)16-6-2-3-7-17(16)21(24)27/h1-9,12H,10-11,13-14H2,(H,22,25)
InChIKeyKNIFWNONRGFHDW-UHFFFAOYSA-N
XLogP2.44
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.44
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-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(3-indol-1-ylpropyl)propanamide
CID 24554014
N-[2-(diethylamino)ethyl]-3-indol-1-ylpropanamide
CID 84556794
3-(1,3-dioxoisoindol-2-yl)-N-[2-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyldisulfanyl]ethyl]propanamide
CID 56842591
N-(2-indol-1-ylethyl)-2-(2-methoxyethyl)-1,3-dioxoisoindole-5-carboxamide
CID 53368524
N-(3-hydroxybutyl)-3-indol-1-ylpropanamide
CID 111429170
5-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]pentanoic acid
CID 119234174
N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide
CID 17080239
3-(1,3-dioxoisoindol-2-yl)-N-[2-(ethylsulfonylamino)ethyl]propanamide
CID 108572140
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(2-indol-1-ylethyl)acetamide
CID 108811505
3-indolo[3,2-b]quinoxalin-6-yl-N-(2-indol-1-ylethyl)propanamide
CID 108726447
N-[2-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]ethyl]-3-methylbutanamide
CID 108538484

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide?
The IUPAC name of 3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide (CID 108750509) is 3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide.
What is the SMILES notation for 3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide?
The canonical SMILES for 3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide is O=C(CCN1C(=O)c2ccccc2C1=O)NCCn1ccc2ccccc21.
What is the InChIKey of 3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide?
The InChIKey is KNIFWNONRGFHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c25-19(22-11-14-23-12-9-15-5-1-4-8-18(15)23)10-13-24-20(26)16-6-2-3-7-17(16)21(24)27/h1-9,12H,10-11,13-14H2,(H,22,25).
What are the key properties of 3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide?
3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide has a molecular weight of 361.40 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dioxoisoindol-2-yl)-N-(2-indol-1-ylethyl)propanamide is sourced from PubChem (CID 108750509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).