4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide

C18H22FN3O3 — CID 27845838

IUPAC4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1F
InChIInChI=1S/C18H22FN3O3/c19-14-7-2-1-6-13(14)12-20-15(23)8-5-11-22-16(24)18(21-17(22)25)9-3-4-10-18/h1-2,6-7H,3-5,8-12H2,(H,20,23)(H,21,25)
InChIKeyFOZBZZDBGVHXCI-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.09
Rot. Bonds6

About 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide

4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide (PubChem CID 27845838) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide
PubChem CID27845838
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide
SMILESO=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1F
InChIInChI=1S/C18H22FN3O3/c19-14-7-2-1-6-13(14)12-20-15(23)8-5-11-22-16(24)18(21-17(22)25)9-3-4-10-18/h1-2,6-7H,3-5,8-12H2,(H,20,23)(H,21,25)
InChIKeyFOZBZZDBGVHXCI-UHFFFAOYSA-N
XLogP2.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(diethylaminomethyl)phenyl]methyl]-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 24551077
N-benzyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 26465708
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-naphthalen-1-ylbutanamide
CID 17429861
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55664754
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[[4-(methoxymethyl)phenyl]methyl]butanamide
CID 55615122
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-methoxynaphthalen-1-yl)methyl]butanamide
CID 38385652
N-cyclopropyl-3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 34578471
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8631154
N-[(2,5-difluorophenyl)methyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 138997783
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-(3-fluorophenyl)propanamide
CID 43048068
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 24666189
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide?
The IUPAC name of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide (CID 27845838) is 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide?
The canonical SMILES for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide is O=C(CCCN1C(=O)NC2(CCCC2)C1=O)NCc1ccccc1F.
What is the InChIKey of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide?
The InChIKey is FOZBZZDBGVHXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c19-14-7-2-1-6-13(14)12-20-15(23)8-5-11-22-16(24)18(21-17(22)25)9-3-4-10-18/h1-2,6-7H,3-5,8-12H2,(H,20,23)(H,21,25).
What are the key properties of 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide?
4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide has a molecular weight of 347.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[(2-fluorophenyl)methyl]butanamide is sourced from PubChem (CID 27845838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).