N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

C17H20IN3O3 — CID 4804356

IUPACN-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(I)c1)C2=O
InChIInChI=1S/C17H20IN3O3/c1-11-5-7-17(8-6-11)15(23)21(16(24)20-17)10-14(22)19-13-4-2-3-12(18)9-13/h2-4,9,11H,5-8,10H2,1H3,(H,19,22)(H,20,24)
InChIKeyUKUKVUHICXLRDY-UHFFFAOYSA-N
MW441.27 g/mol
LogP2.73
Rot. Bonds3

About N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide

N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (PubChem CID 4804356) has the molecular formula C17H20IN3O3 and a molecular weight of 441.27 g/mol. Its IUPAC name is N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
PubChem CID4804356
Molecular FormulaC17H20IN3O3
Molecular Weight441.27 g/mol
Exact Mass441.05
IUPAC NameN-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
SMILESCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(I)c1)C2=O
InChIInChI=1S/C17H20IN3O3/c1-11-5-7-17(8-6-11)15(23)21(16(24)20-17)10-14(22)19-13-4-2-3-12(18)9-13/h2-4,9,11H,5-8,10H2,1H3,(H,19,22)(H,20,24)
InChIKeyUKUKVUHICXLRDY-UHFFFAOYSA-N
XLogP2.73
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.27
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 55510760
N-[3-(diethylsulfamoyl)phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3899374
methyl N-[4-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]phenyl]carbamate
CID 55805969
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7609681
N-(3-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetamide
CID 7170143
methyl 2-chloro-5-[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]benzoate
CID 55556134
N-(3-cyanophenyl)-2-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7180941
N-(2-chlorophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 3919530
N-[4-[(2R)-butan-2-yl]phenyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7240735
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-iodophenyl)acetamide
CID 4810361
2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 2085218
N-[3-[[[2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide
CID 55903583

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The IUPAC name of N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide (CID 4804356) is N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide.
What is the SMILES notation for N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The canonical SMILES for N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1cccc(I)c1)C2=O.
What is the InChIKey of N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
The InChIKey is UKUKVUHICXLRDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN3O3/c1-11-5-7-17(8-6-11)15(23)21(16(24)20-17)10-14(22)19-13-4-2-3-12(18)9-13/h2-4,9,11H,5-8,10H2,1H3,(H,19,22)(H,20,24).
What are the key properties of N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide?
N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide has a molecular weight of 441.27 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide is sourced from PubChem (CID 4804356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).