2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide

C18H23FN4O3 — CID 17484602

IUPAC2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H23FN4O3/c1-22(11-15(24)20-14-7-5-13(19)6-8-14)12-23-16(25)18(21-17(23)26)9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,20,24)(H,21,26)
InChIKeyXYQROHNECTUMJU-UHFFFAOYSA-N
MW362.41 g/mol
LogP1.91
Rot. Bonds5

About 2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide

2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 17484602) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
PubChem CID17484602
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Name2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
SMILESCN(CC(=O)Nc1ccc(F)cc1)CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H23FN4O3/c1-22(11-15(24)20-14-7-5-13(19)6-8-14)12-23-16(25)18(21-17(23)26)9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,20,24)(H,21,26)
InChIKeyXYQROHNECTUMJU-UHFFFAOYSA-N
XLogP1.91
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide 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

2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 2583554
[2-(4-fluoroanilino)-2-oxoethyl] 2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetate
CID 7822058
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[methyl-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]amino]acetamide
CID 2505844
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 4791328
N-(4-tert-butylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2438146
N-(4-chlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701850
N-(3,5-difluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 46665812
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-iodophenyl)acetamide
CID 2701826

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide (CID 17484602) is 2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide is CN(CC(=O)Nc1ccc(F)cc1)CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is XYQROHNECTUMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-22(11-15(24)20-14-7-5-13(19)6-8-14)12-23-16(25)18(21-17(23)26)9-3-2-4-10-18/h5-8H,2-4,9-12H2,1H3,(H,20,24)(H,21,26).
What are the key properties of 2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide?
2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 362.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl-methylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 17484602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).