4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide

C20H29N3O3 — CID 84601474

IUPAC4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide
SMILESCCCCCCC1(C)NC(=O)N(Cc2ccc(C(=O)N(C)C)cc2)C1=O
InChIInChI=1S/C20H29N3O3/c1-5-6-7-8-13-20(2)18(25)23(19(26)21-20)14-15-9-11-16(12-10-15)17(24)22(3)4/h9-12H,5-8,13-14H2,1-4H3,(H,21,26)
InChIKeyZDZJCNWVZIYITG-UHFFFAOYSA-N
MW359.47 g/mol
LogP3.17
Rot. Bonds8

About 4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide

4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide (PubChem CID 84601474) has the molecular formula C20H29N3O3 and a molecular weight of 359.47 g/mol. Its IUPAC name is 4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide
PubChem CID84601474
Molecular FormulaC20H29N3O3
Molecular Weight359.47 g/mol
Exact Mass359.22
IUPAC Name4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide
SMILESCCCCCCC1(C)NC(=O)N(Cc2ccc(C(=O)N(C)C)cc2)C1=O
InChIInChI=1S/C20H29N3O3/c1-5-6-7-8-13-20(2)18(25)23(19(26)21-20)14-15-9-11-16(12-10-15)17(24)22(3)4/h9-12H,5-8,13-14H2,1-4H3,(H,21,26)
InChIKeyZDZJCNWVZIYITG-UHFFFAOYSA-N
XLogP3.17
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 84601226
N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 84601218
4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 78764207
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408
2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
CID 42964405
N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3972786
3-benzyl-5-nonyl-5-phenylimidazolidine-2,4-dione
CID 11417958
3-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide
CID 52727040
N-(4-ethoxyphenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4810358
[2-(4-chlorophenyl)-2-oxoethyl] 2-[(4S)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9485844
(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916930

Frequently Asked Questions

What is the IUPAC name of 4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide (CID 84601474) is 4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide is CCCCCCC1(C)NC(=O)N(Cc2ccc(C(=O)N(C)C)cc2)C1=O.
What is the InChIKey of 4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide?
The InChIKey is ZDZJCNWVZIYITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O3/c1-5-6-7-8-13-20(2)18(25)23(19(26)21-20)14-15-9-11-16(12-10-15)17(24)22(3)4/h9-12H,5-8,13-14H2,1-4H3,(H,21,26).
What are the key properties of 4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide?
4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide has a molecular weight of 359.47 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 84601474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).