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

C20H27FN4O3 — CID 51227850

IUPACN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCC(C)C(NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C20H27FN4O3/c1-13(2)17(14-6-8-15(21)9-7-14)22-12-16(26)24-25-18(27)20(23-19(25)28)10-4-3-5-11-20/h6-9,13,17,22H,3-5,10-12H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyFTEGQVHCGYAORY-UHFFFAOYSA-N
MW390.46 g/mol
LogP2.40
Rot. Bonds6

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

N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (PubChem CID 51227850) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
PubChem CID51227850
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC NameN-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
SMILESCC(C)C(NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(F)cc1
InChIInChI=1S/C20H27FN4O3/c1-13(2)17(14-6-8-15(21)9-7-14)22-12-16(26)24-25-18(27)20(23-19(25)28)10-4-3-5-11-20/h6-9,13,17,22H,3-5,10-12H2,1-2H3,(H,23,28)(H,24,26)
InChIKeyFTEGQVHCGYAORY-UHFFFAOYSA-N
XLogP2.40
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[(1R)-2-methyl-1-phenylpropyl]amino]acetamide
CID 9132494
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[[2-methyl-1-(4-propylphenyl)propyl]amino]acetamide
CID 46615100
[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8687959
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132337
[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8834313
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
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] 2-[(4-fluorobenzoyl)amino]acetate
CID 7877843
3-[[2-amino-1-(3-fluorophenyl)-2-oxoethyl]-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 56526587
N-(4-acetamidophenyl)-2-[[(1R)-1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 9133555
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]acetamide
CID 45281463
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[1-(4-methylsulfonylphenyl)ethylamino]acetamide
CID 45355784

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The IUPAC name of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide (CID 51227850) is N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide.
What is the SMILES notation for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The canonical SMILES for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is CC(C)C(NCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(F)cc1.
What is the InChIKey of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
The InChIKey is FTEGQVHCGYAORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c1-13(2)17(14-6-8-15(21)9-7-14)22-12-16(26)24-25-18(27)20(23-19(25)28)10-4-3-5-11-20/h6-9,13,17,22H,3-5,10-12H2,1-2H3,(H,23,28)(H,24,26).
What are the key properties of N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide?
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide has a molecular weight of 390.46 g/mol, XLogP of 2.40, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide is sourced from PubChem (CID 51227850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).