2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide

C20H25N5O4 — CID 46968477

IUPAC2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCc1cc2c(cc1NC(=O)CN1C(=O)NC3(CCCCC3)C1=O)n(C)c(=O)n2C
InChIInChI=1S/C20H25N5O4/c1-12-9-14-15(24(3)19(29)23(14)2)10-13(12)21-16(26)11-25-17(27)20(22-18(25)28)7-5-4-6-8-20/h9-10H,4-8,11H2,1-3H3,(H,21,26)(H,22,28)
InChIKeyJGTGEAJYYULEQJ-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.38
Rot. Bonds3

About 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide

2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide (PubChem CID 46968477) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide
PubChem CID46968477
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide
SMILESCc1cc2c(cc1NC(=O)CN1C(=O)NC3(CCCCC3)C1=O)n(C)c(=O)n2C
InChIInChI=1S/C20H25N5O4/c1-12-9-14-15(24(3)19(29)23(14)2)10-13(12)21-16(26)11-25-17(27)20(22-18(25)28)7-5-4-6-8-20/h9-10H,4-8,11H2,1-3H3,(H,21,26)(H,22,28)
InChIKeyJGTGEAJYYULEQJ-UHFFFAOYSA-N
XLogP1.38
TPSA105.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', '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
N-(3,4-dimethylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622570
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide
CID 3970477
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)acetamide
CID 24819945
2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-N-(4-methylphenyl)acetamide
CID 2701811
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(4-methylphenyl)acetamide
CID 2377118
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[4.6]undecan-3-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2435183
2-(2,4-dioxo-1,3-diazaspiro[4.7]dodecan-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 2583508
N-(3-bromo-4-methylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7610542
N-(2,4-dimethylphenyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 9467842
N-(4-acetamidophenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 2622697

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide (CID 46968477) is 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide is Cc1cc2c(cc1NC(=O)CN1C(=O)NC3(CCCCC3)C1=O)n(C)c(=O)n2C.
What is the InChIKey of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide?
The InChIKey is JGTGEAJYYULEQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c1-12-9-14-15(24(3)19(29)23(14)2)10-13(12)21-16(26)11-25-17(27)20(22-18(25)28)7-5-4-6-8-20/h9-10H,4-8,11H2,1-3H3,(H,21,26)(H,22,28).
What are the key properties of 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide?
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide has a molecular weight of 399.45 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1,3,6-trimethyl-2-oxobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 46968477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).