[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium

C18H24ClN4O3+ — CID 8598366

IUPAC[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1Cl
InChIInChI=1S/C18H23ClN4O3/c1-12(13-7-3-4-8-14(13)19)20-11-15(24)22-23-16(25)18(21-17(23)26)9-5-2-6-10-18/h3-4,7-8,12,20H,2,5-6,9-11H2,1H3,(H,21,26)(H,22,24)/p+1/t12-/m0/s1
InChIKeyRFKFYNYJAJGTNA-LBPRGKRZSA-O
MW379.87 g/mol
LogP1.25
Rot. Bonds5

About [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium

[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium (PubChem CID 8598366) has the molecular formula C18H24ClN4O3+ and a molecular weight of 379.87 g/mol. Its IUPAC name is [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium.

Molecular Properties

Compound Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
PubChem CID8598366
Molecular FormulaC18H24ClN4O3+
Molecular Weight379.87 g/mol
Exact Mass379.15
IUPAC Name[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
SMILESC[C@H]([NH2+]CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1Cl
InChIInChI=1S/C18H23ClN4O3/c1-12(13-7-3-4-8-14(13)19)20-11-15(24)22-23-16(25)18(21-17(23)26)9-5-2-6-10-18/h3-4,7-8,12,20H,2,5-6,9-11H2,1H3,(H,21,26)(H,22,24)/p+1/t12-/m0/s1
InChIKeyRFKFYNYJAJGTNA-LBPRGKRZSA-O
XLogP1.25
TPSA95.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(1S)-1-(2,4-difluorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8687959
[(1R)-1-(2-chlorophenyl)ethyl]-[2-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]amino]-2-oxoethyl]azanium
CID 8598409
[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-(2,4-difluorophenyl)ethyl]-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8688036
[(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
[(1S)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(4-piperidin-1-ylanilino)ethyl]azanium
CID 8593365
benzhydryl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8596083
[(1R)-1-(2-chlorophenyl)ethyl]-[2-oxo-2-(4-pyrrolidin-1-ylsulfonylanilino)ethyl]azanium
CID 9306864
(3S)-1-[2-[(2S)-butan-2-yl]phenyl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 25484893
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 24585914
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[[(3R)-3-methyl-1,1-dioxothiolan-3-yl]amino]-2-oxoethyl]azanium
CID 8598600

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium?
The IUPAC name of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium (CID 8598366) is [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium.
What is the SMILES notation for [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium?
The canonical SMILES for [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium is C[C@H]([NH2+]CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)c1ccccc1Cl.
What is the InChIKey of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium?
The InChIKey is RFKFYNYJAJGTNA-LBPRGKRZSA-O. The full InChI is InChI=1S/C18H23ClN4O3/c1-12(13-7-3-4-8-14(13)19)20-11-15(24)22-23-16(25)18(21-17(23)26)9-5-2-6-10-18/h3-4,7-8,12,20H,2,5-6,9-11H2,1H3,(H,21,26)(H,22,24)/p+1/t12-/m0/s1.
What are the key properties of [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium?
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium has a molecular weight of 379.87 g/mol, XLogP of 1.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium is sourced from PubChem (CID 8598366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).