(2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium

C18H23Cl2N4O3+ — CID 8538402

IUPAC(2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H22Cl2N4O3/c1-23(10-12-5-6-13(19)9-14(12)20)11-15(25)22-24-16(26)18(21-17(24)27)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,21,27)(H,22,25)/p+1
InChIKeyNKPDZKBGXFORLI-UHFFFAOYSA-O
MW414.31 g/mol
LogP1.29
Rot. Bonds5

About (2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium

(2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium (PubChem CID 8538402) has the molecular formula C18H23Cl2N4O3+ and a molecular weight of 414.31 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium
PubChem CID8538402
Molecular FormulaC18H23Cl2N4O3+
Molecular Weight414.31 g/mol
Exact Mass413.11
IUPAC Name(2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C18H22Cl2N4O3/c1-23(10-12-5-6-13(19)9-14(12)20)11-15(25)22-24-16(26)18(21-17(24)27)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,21,27)(H,22,25)/p+1
InChIKeyNKPDZKBGXFORLI-UHFFFAOYSA-O
XLogP1.29
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 51.29
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

2-(2,4-dichlorophenyl)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 27802772
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8538416
2-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 37385902
[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl] 2-(4-chlorophenyl)acetate
CID 8579141
(5-chlorothiophen-2-yl)methyl-methyl-[2-[(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8787084
2-(5-chloro-2-methoxyanilino)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 24533725
2-[(5-chloro-2-methoxyphenyl)methyl-methylamino]-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 9136775
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenyl)acetamide
CID 17446177
N-[2-(2,4-dichlorophenyl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 2090297
3-(3-chloro-4-methylphenyl)-N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)propanamide
CID 24585914
[2-(benzylcarbamoylamino)-2-oxoethyl]-[(2,4-dichlorophenyl)methyl]-methylazanium
CID 2699320
[(1S)-1-(2-chlorophenyl)ethyl]-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]azanium
CID 8598366

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium?
The IUPAC name of (2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium (CID 8538402) is (2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium.
What is the SMILES notation for (2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium?
The canonical SMILES for (2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium is C[NH+](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium?
The InChIKey is NKPDZKBGXFORLI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H22Cl2N4O3/c1-23(10-12-5-6-13(19)9-14(12)20)11-15(25)22-24-16(26)18(21-17(24)27)7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,21,27)(H,22,25)/p+1.
What are the key properties of (2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium?
(2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium has a molecular weight of 414.31 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl-[2-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8538402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).