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

C11H18N2O3 — CID 126550295

IUPACN-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCNC(=O)CCN1C(=O)CC(CC)C1=O
InChIInChI=1S/C11H18N2O3/c1-3-8-7-10(15)13(11(8)16)6-5-9(14)12-4-2/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyIZBAQBGUTCFLEY-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.30
Rot. Bonds5

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

N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide (PubChem CID 126550295) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide.

Molecular Properties

Compound NameN-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide
PubChem CID126550295
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide
SMILESCCNC(=O)CCN1C(=O)CC(CC)C1=O
InChIInChI=1S/C11H18N2O3/c1-3-8-7-10(15)13(11(8)16)6-5-9(14)12-4-2/h8H,3-7H2,1-2H3,(H,12,14)
InChIKeyIZBAQBGUTCFLEY-UHFFFAOYSA-N
XLogP0.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
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-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The IUPAC name of N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide (CID 126550295) is N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide.
What is the SMILES notation for N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The canonical SMILES for N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide is CCNC(=O)CCN1C(=O)CC(CC)C1=O.
What is the InChIKey of N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide?
The InChIKey is IZBAQBGUTCFLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-8-7-10(15)13(11(8)16)6-5-9(14)12-4-2/h8H,3-7H2,1-2H3,(H,12,14).
What are the key properties of N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide?
N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide has a molecular weight of 226.28 g/mol, XLogP of 0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide is sourced from PubChem (CID 126550295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).