N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide

C11H18FN3O4 — CID 59356246

IUPACN-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCCOCCNC(=O)CCN1C(=O)CC(NF)C1=O
InChIInChI=1S/C11H18FN3O4/c1-2-19-6-4-13-9(16)3-5-15-10(17)7-8(14-12)11(15)18/h8,14H,2-7H2,1H3,(H,13,16)
InChIKeyCITOZLMRNJQEQW-UHFFFAOYSA-N
MW275.28 g/mol
LogP-0.87
Rot. Bonds8

About N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide

N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide (PubChem CID 59356246) has the molecular formula C11H18FN3O4 and a molecular weight of 275.28 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide
PubChem CID59356246
Molecular FormulaC11H18FN3O4
Molecular Weight275.28 g/mol
Exact Mass275.13
IUPAC NameN-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide
SMILESCCOCCNC(=O)CCN1C(=O)CC(NF)C1=O
InChIInChI=1S/C11H18FN3O4/c1-2-19-6-4-13-9(16)3-5-15-10(17)7-8(14-12)11(15)18/h8,14H,2-7H2,1H3,(H,13,16)
InChIKeyCITOZLMRNJQEQW-UHFFFAOYSA-N
XLogP-0.87
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide?
The IUPAC name of N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide (CID 59356246) is N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide is CCOCCNC(=O)CCN1C(=O)CC(NF)C1=O.
What is the InChIKey of N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide?
The InChIKey is CITOZLMRNJQEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O4/c1-2-19-6-4-13-9(16)3-5-15-10(17)7-8(14-12)11(15)18/h8,14H,2-7H2,1H3,(H,13,16).
What are the key properties of N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide?
N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide has a molecular weight of 275.28 g/mol, XLogP of -0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-[3-(fluoroamino)-2,5-dioxopyrrolidin-1-yl]propanamide is sourced from PubChem (CID 59356246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).