2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide

C17H20IN3O3 — CID 2636302

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1I
InChIInChI=1S/C17H20IN3O3/c18-12-7-3-4-8-13(12)19-14(22)11-21-15(23)17(20-16(21)24)9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-11H2,(H,19,22)(H,20,24)
InChIKeyKFBURGXZKXVYQZ-UHFFFAOYSA-N
MW441.27 g/mol
LogP2.87
Rot. Bonds3

About 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide (PubChem CID 2636302) has the molecular formula C17H20IN3O3 and a molecular weight of 441.27 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide
PubChem CID2636302
Molecular FormulaC17H20IN3O3
Molecular Weight441.27 g/mol
Exact Mass441.05
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide
SMILESO=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1I
InChIInChI=1S/C17H20IN3O3/c18-12-7-3-4-8-13(12)19-14(22)11-21-15(23)17(20-16(21)24)9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-11H2,(H,19,22)(H,20,24)
InChIKeyKFBURGXZKXVYQZ-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
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

2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-methylphenyl)acetamide
CID 2701809
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-ethylphenyl)acetamide
CID 7170197
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-naphthalen-1-ylacetamide
CID 2622589
N-(2-cyanophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2583832
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-iodophenyl)acetamide
CID 2701826
N-[2-(difluoromethoxy)phenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622460
N-(2-iodophenyl)-2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 2636303
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-iodophenyl)acetamide
CID 16557019
2-(2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl)-N-(2-iodophenyl)acetamide
CID 112777295
N-(3-chloro-2-fluorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)acetamide
CID 51145756
N-(2,6-dichlorophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 2475113
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(morpholin-4-ylmethyl)phenyl]acetamide
CID 55899568

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide (CID 2636302) is 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide is O=C(CN1C(=O)NC2(CCCCCC2)C1=O)Nc1ccccc1I.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide?
The InChIKey is KFBURGXZKXVYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20IN3O3/c18-12-7-3-4-8-13(12)19-14(22)11-21-15(23)17(20-16(21)24)9-5-1-2-6-10-17/h3-4,7-8H,1-2,5-6,9-11H2,(H,19,22)(H,20,24).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide has a molecular weight of 441.27 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(2-iodophenyl)acetamide is sourced from PubChem (CID 2636302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).