3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

C20H26FN5O4 — CID 56526587

IUPAC3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C20H26FN5O4/c1-25(16(17(22)28)13-6-5-7-14(21)12-13)11-8-15(27)24-26-18(29)20(23-19(26)30)9-3-2-4-10-20/h5-7,12,16H,2-4,8-11H2,1H3,(H2,22,28)(H,23,30)(H,24,27)
InChIKeyRUGSVPXYUBMMNV-UHFFFAOYSA-N
MW419.46 g/mol
LogP0.96
Rot. Bonds7

About 3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide

3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (PubChem CID 56526587) has the molecular formula C20H26FN5O4 and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.

Molecular Properties

Compound Name3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
PubChem CID56526587
Molecular FormulaC20H26FN5O4
Molecular Weight419.46 g/mol
Exact Mass419.20
IUPAC Name3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
SMILESCN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C20H26FN5O4/c1-25(16(17(22)28)13-6-5-7-14(21)12-13)11-8-15(27)24-26-18(29)20(23-19(26)30)9-3-2-4-10-20/h5-7,12,16H,2-4,8-11H2,1H3,(H2,22,28)(H,23,30)(H,24,27)
InChIKeyRUGSVPXYUBMMNV-UHFFFAOYSA-N
XLogP0.96
TPSA124.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (2S)-2-(3,4-dichlorophenyl)-2-[[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylamino]acetate
CID 52513333
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8538416
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 51227850
3-[[2-(2,3-dimethylanilino)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 55490203
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8687959
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(3-fluorophenyl)imidazol-2-yl]sulfanylacetamide
CID 8002445
(2R)-2-(3-fluorophenyl)-2-[methyl-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide
CID 99107147
2-[[5-[(1R)-1-(dimethylamino)ethyl]-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 25329223
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132337
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(3-methylphenoxy)butanamide
CID 8873650
2-(3-fluorophenyl)-2-[[2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]-methylamino]acetamide
CID 56566339

Frequently Asked Questions

What is the IUPAC name of 3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The IUPAC name of 3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide (CID 56526587) is 3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide.
What is the SMILES notation for 3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The canonical SMILES for 3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is CN(CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
The InChIKey is RUGSVPXYUBMMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN5O4/c1-25(16(17(22)28)13-6-5-7-14(21)12-13)11-8-15(27)24-26-18(29)20(23-19(26)30)9-3-2-4-10-20/h5-7,12,16H,2-4,8-11H2,1H3,(H2,22,28)(H,23,30)(H,24,27).
What are the key properties of 3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide?
3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide has a molecular weight of 419.46 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide is sourced from PubChem (CID 56526587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).