[(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

C24H37N4O3+ — CID 8834313

IUPAC[(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
SMILESCC[C@@H](C)c1ccc([C@H]([NH2+]CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C(C)C)cc1
InChIInChI=1S/C24H36N4O3/c1-5-17(4)18-9-11-19(12-10-18)21(16(2)3)25-15-20(29)27-28-22(30)24(26-23(28)31)13-7-6-8-14-24/h9-12,16-17,21,25H,5-8,13-15H2,1-4H3,(H,26,31)(H,27,29)/p+1/t17-,21-/m1/s1
InChIKeyBORRPNDPSYNWGV-DYESRHJHSA-O
MW429.59 g/mol
LogP2.75
Rot. Bonds8

About [(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

[(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 (PubChem CID 8834313) has the molecular formula C24H37N4O3+ and a molecular weight of 429.59 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID8834313
Molecular FormulaC24H37N4O3+
Molecular Weight429.59 g/mol
Exact Mass429.29
IUPAC Name[(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
SMILESCC[C@@H](C)c1ccc([C@H]([NH2+]CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C(C)C)cc1
InChIInChI=1S/C24H36N4O3/c1-5-17(4)18-9-11-19(12-10-18)21(16(2)3)25-15-20(29)27-28-22(30)24(26-23(28)31)13-7-6-8-14-24/h9-12,16-17,21,25H,5-8,13-15H2,1-4H3,(H,26,31)(H,27,29)/p+1/t17-,21-/m1/s1
InChIKeyBORRPNDPSYNWGV-DYESRHJHSA-O
XLogP2.75
TPSA95.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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Related Compounds

[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9132337
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8598366
[(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-[[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133156
[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8992473
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[[1-(4-fluorophenyl)-2-methylpropyl]amino]acetamide
CID 51227850
[2-(2-acetylhydrazinyl)-2-oxoethyl]-[(1R)-1-[4-[(2S)-butan-2-yl]phenyl]-2-methylpropyl]azanium
CID 8834429
[(1R)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]azanium
CID 8834303
[2-[[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]amino]-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9133162
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
benzhydryl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8596083
[(1S)-1-[4-[(2R)-butan-2-yl]phenyl]-2-methylpropyl]-[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl]azanium
CID 8834655

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CC[C@@H](C)c1ccc([C@H]([NH2+]CC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C(C)C)cc1.
What is the InChIKey of [(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?
The InChIKey is BORRPNDPSYNWGV-DYESRHJHSA-O. The full InChI is InChI=1S/C24H36N4O3/c1-5-17(4)18-9-11-19(12-10-18)21(16(2)3)25-15-20(29)27-28-22(30)24(26-23(28)31)13-7-6-8-14-24/h9-12,16-17,21,25H,5-8,13-15H2,1-4H3,(H,26,31)(H,27,29)/p+1/t17-,21-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 429.59 g/mol, XLogP of 2.75, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 8834313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).