2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide

C17H22ClN3O3 — CID 4880339

IUPAC2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide
SMILESCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C)C1=O
InChIInChI=1S/C17H22ClN3O3/c1-4-5-8-17(3)15(23)21(16(24)20-17)10-14(22)19-13-7-6-12(18)9-11(13)2/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyDGBACDSKWWAIDL-UHFFFAOYSA-N
MW351.83 g/mol
LogP3.09
Rot. Bonds6

About 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide

2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide (PubChem CID 4880339) has the molecular formula C17H22ClN3O3 and a molecular weight of 351.83 g/mol. Its IUPAC name is 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide
PubChem CID4880339
Molecular FormulaC17H22ClN3O3
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Name2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide
SMILESCCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C)C1=O
InChIInChI=1S/C17H22ClN3O3/c1-4-5-8-17(3)15(23)21(16(24)20-17)10-14(22)19-13-7-6-12(18)9-11(13)2/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyDGBACDSKWWAIDL-UHFFFAOYSA-N
XLogP3.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.83
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide (CID 4880339) is 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide is CCCCC1(C)NC(=O)N(CC(=O)Nc2ccc(Cl)cc2C)C1=O.
What is the InChIKey of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide?
The InChIKey is DGBACDSKWWAIDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O3/c1-4-5-8-17(3)15(23)21(16(24)20-17)10-14(22)19-13-7-6-12(18)9-11(13)2/h6-7,9H,4-5,8,10H2,1-3H3,(H,19,22)(H,20,24).
What are the key properties of 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide?
2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide has a molecular weight of 351.83 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 4880339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).