3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide

C18H22FN3O3 — CID 17480205

IUPAC3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H22FN3O3/c1-12-5-6-13(19)11-14(12)20-15(23)7-10-22-16(24)18(21-17(22)25)8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,20,23)(H,21,25)
InChIKeyNSTMPLGZKYBQMX-UHFFFAOYSA-N
MW347.39 g/mol
LogP2.72
Rot. Bonds4

About 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide

3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide (PubChem CID 17480205) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide
PubChem CID17480205
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide
SMILESCc1ccc(F)cc1NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C18H22FN3O3/c1-12-5-6-13(19)11-14(12)20-15(23)7-10-22-16(24)18(21-17(22)25)8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,20,23)(H,21,25)
InChIKeyNSTMPLGZKYBQMX-UHFFFAOYSA-N
XLogP2.72
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(4-fluoro-2-methoxyphenyl)propanamide
CID 32609722
tert-butyl N-[2-[3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanoylamino]-4-fluorophenyl]carbamate
CID 56571759
N-(2,4-dimethylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9467842
3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(4-fluorophenyl)phenyl]propanamide
CID 46969922
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-methoxyphenyl)propanamide
CID 17446493
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylpropanamide
CID 17468537
N-(2-chloro-4-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 2701817
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55877167
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-methylphenyl)acetamide
CID 2701809
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]propanamide
CID 46632417
N-(5-fluoro-2-methylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979424
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide
CID 46968477

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide?
The IUPAC name of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide (CID 17480205) is 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide.
What is the SMILES notation for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide?
The canonical SMILES for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide is Cc1ccc(F)cc1NC(=O)CCN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide?
The InChIKey is NSTMPLGZKYBQMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-12-5-6-13(19)11-14(12)20-15(23)7-10-22-16(24)18(21-17(22)25)8-3-2-4-9-18/h5-6,11H,2-4,7-10H2,1H3,(H,20,23)(H,21,25).
What are the key properties of 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide?
3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide has a molecular weight of 347.39 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(5-fluoro-2-methylphenyl)propanamide is sourced from PubChem (CID 17480205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).