3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide

C17H21FN2O4 — CID 32644530

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C17H21FN2O4/c18-13-3-5-14(6-4-13)24-12-2-1-10-19-15(21)9-11-20-16(22)7-8-17(20)23/h3-6H,1-2,7-12H2,(H,19,21)
InChIKeyHGCGCLWVMISBCK-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.64
Rot. Bonds9

About 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide (PubChem CID 32644530) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide
PubChem CID32644530
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide
SMILESO=C(CCN1C(=O)CCC1=O)NCCCCOc1ccc(F)cc1
InChIInChI=1S/C17H21FN2O4/c18-13-3-5-14(6-4-13)24-12-2-1-10-19-15(21)9-11-20-16(22)7-8-17(20)23/h3-6H,1-2,7-12H2,(H,19,21)
InChIKeyHGCGCLWVMISBCK-UHFFFAOYSA-N
XLogP1.64
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[4-(4-fluorophenoxy)butyl]butanamide
CID 119274703
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784
N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 47064713
N-[4-(4-fluorophenoxy)butyl]-2-(4-oxo-1,3-thiazolidin-3-yl)acetamide
CID 32643845
6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 43352869
6-[3-(2,5-dioxopyrrolidin-1-yl)propanoylamino]hexanoic acid
CID 43352928
3-(4-fluorophenoxy)-N-(2-piperazin-1-ylethyl)propanamide
CID 119445997
3-(4-fluorophenoxy)-N-(3-piperazin-1-ylpropyl)propanamide;hydrochloride
CID 119391711
N-[3-(4-fluorophenoxy)propyl]-4-(4-fluorophenyl)-4-oxobutanamide
CID 110307315
3-(2,5-dioxopyrrolidin-1-yl)-N-(8-oxooctyl)propanamide
CID 173035040
2-(4-bromophenyl)-N-[4-(4-fluorophenoxy)butyl]acetamide
CID 42572295

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide (CID 32644530) is 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide is O=C(CCN1C(=O)CCC1=O)NCCCCOc1ccc(F)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide?
The InChIKey is HGCGCLWVMISBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O4/c18-13-3-5-14(6-4-13)24-12-2-1-10-19-15(21)9-11-20-16(22)7-8-17(20)23/h3-6H,1-2,7-12H2,(H,19,21).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide has a molecular weight of 336.36 g/mol, XLogP of 1.64, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-fluorophenoxy)butyl]propanamide is sourced from PubChem (CID 32644530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).