N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide

C17H19N3O3 — CID 84598863

IUPACN-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide
SMILESCCN(C(=O)CCc1ccc2[nH]ccc2c1)C1CC(=O)NC1=O
InChIInChI=1S/C17H19N3O3/c1-2-20(14-10-15(21)19-17(14)23)16(22)6-4-11-3-5-13-12(9-11)7-8-18-13/h3,5,7-9,14,18H,2,4,6,10H2,1H3,(H,19,21,23)
InChIKeyKGLVWUDAGPYSEJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.36
Rot. Bonds5

About N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide

N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide (PubChem CID 84598863) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide.

Molecular Properties

Compound NameN-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide
PubChem CID84598863
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide
SMILESCCN(C(=O)CCc1ccc2[nH]ccc2c1)C1CC(=O)NC1=O
InChIInChI=1S/C17H19N3O3/c1-2-20(14-10-15(21)19-17(14)23)16(22)6-4-11-3-5-13-12(9-11)7-8-18-13/h3,5,7-9,14,18H,2,4,6,10H2,1H3,(H,19,21,23)
InChIKeyKGLVWUDAGPYSEJ-UHFFFAOYSA-N
XLogP1.36
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide?
The IUPAC name of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide (CID 84598863) is N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide.
What is the SMILES notation for N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide?
The canonical SMILES for N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide is CCN(C(=O)CCc1ccc2[nH]ccc2c1)C1CC(=O)NC1=O.
What is the InChIKey of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide?
The InChIKey is KGLVWUDAGPYSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-20(14-10-15(21)19-17(14)23)16(22)6-4-11-3-5-13-12(9-11)7-8-18-13/h3,5,7-9,14,18H,2,4,6,10H2,1H3,(H,19,21,23).
What are the key properties of N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide?
N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide has a molecular weight of 313.36 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide is sourced from PubChem (CID 84598863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).