N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

C22H30BrN3O3 — CID 4799017

IUPACN-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Br)c(C)c1)C2=O
InChIInChI=1S/C22H30BrN3O3/c1-5-21(3,4)15-8-10-22(11-9-15)19(28)26(20(29)25-22)13-18(27)24-16-6-7-17(23)14(2)12-16/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyYNFVHRJUOLUHJL-UHFFFAOYSA-N
MW464.40 g/mol
LogP4.61
Rot. Bonds5

About N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide

N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (PubChem CID 4799017) has the molecular formula C22H30BrN3O3 and a molecular weight of 464.40 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
PubChem CID4799017
Molecular FormulaC22H30BrN3O3
Molecular Weight464.40 g/mol
Exact Mass463.15
IUPAC NameN-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
SMILESCCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Br)c(C)c1)C2=O
InChIInChI=1S/C22H30BrN3O3/c1-5-21(3,4)15-8-10-22(11-9-15)19(28)26(20(29)25-22)13-18(27)24-16-6-7-17(23)14(2)12-16/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyYNFVHRJUOLUHJL-UHFFFAOYSA-N
XLogP4.61
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.40
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chlorophenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2116042
N-(4-ethylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987246
N-(2,3-dihydro-1H-inden-5-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987842
N-(1,3-benzodioxol-5-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2709593
N-(2,5-dimethylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 84601209
N-(4-ethoxyphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 42987168
N-[3-(methanesulfonamido)phenyl]-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 30830922
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 55748943
N-(3-bromo-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7610542
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-quinolin-2-ylacetamide
CID 46654985
2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 2471932
N-(3,4-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622570

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide (CID 4799017) is N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Br)c(C)c1)C2=O.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is YNFVHRJUOLUHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30BrN3O3/c1-5-21(3,4)15-8-10-22(11-9-15)19(28)26(20(29)25-22)13-18(27)24-16-6-7-17(23)14(2)12-16/h6-7,12,15H,5,8-11,13H2,1-4H3,(H,24,27)(H,25,29).
What are the key properties of N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide?
N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 464.40 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 4799017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).