2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide

C23H36N4O3 — CID 46227827

IUPAC2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide
SMILESCCCCCCC1(c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)NC(=O)NC1=O
InChIInChI=1S/C23H36N4O3/c1-6-9-10-11-12-23(21(29)25-22(30)26-23)18-13-16(4)20(17(5)14-18)24-19(28)15-27(7-2)8-3/h13-14H,6-12,15H2,1-5H3,(H,24,28)(H2,25,26,29,30)
InChIKeyZVIGPYCYZQFMAK-UHFFFAOYSA-N
MW416.57 g/mol
LogP3.59
Rot. Bonds11

About 2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide

2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide (PubChem CID 46227827) has the molecular formula C23H36N4O3 and a molecular weight of 416.57 g/mol. Its IUPAC name is 2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide
PubChem CID46227827
Molecular FormulaC23H36N4O3
Molecular Weight416.57 g/mol
Exact Mass416.28
IUPAC Name2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide
SMILESCCCCCCC1(c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)NC(=O)NC1=O
InChIInChI=1S/C23H36N4O3/c1-6-9-10-11-12-23(21(29)25-22(30)26-23)18-13-16(4)20(17(5)14-18)24-19(28)15-27(7-2)8-3/h13-14H,6-12,15H2,1-5H3,(H,24,28)(H2,25,26,29,30)
InChIKeyZVIGPYCYZQFMAK-UHFFFAOYSA-N
XLogP3.59
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.57
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(4-tert-butyl-2,6-dimethylphenyl)-2-(diethylamino)acetamide
CID 660469
5-(3-chlorophenyl)-5-heptylimidazolidine-2,4-dione
CID 58437036
N-[3-[[2-(diethylamino)acetyl]amino]-2,4-dimethylphenyl]tetradecanamide
CID 67352086
2-(dibutylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 3026196
bis(2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide);dihydrochloride
CID 69335483
CID 89442401
CID 89442401
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;4-tetradecylbenzenesulfonic acid
CID 155092479
4-(4-butyl-2,5-dioxoimidazolidin-4-yl)benzoic acid
CID 54049258
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]ethyl nonyl carbonate
CID 130251780
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
CID 61006911
2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide;formic acid
CID 166652856
2-(carboxymethylamino)acetic acid;2-(diethylamino)-N-(2,6-dimethylphenyl)acetamide
CID 6454431

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide?
The IUPAC name of 2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide (CID 46227827) is 2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide.
What is the SMILES notation for 2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide?
The canonical SMILES for 2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide is CCCCCCC1(c2cc(C)c(NC(=O)CN(CC)CC)c(C)c2)NC(=O)NC1=O.
What is the InChIKey of 2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide?
The InChIKey is ZVIGPYCYZQFMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O3/c1-6-9-10-11-12-23(21(29)25-22(30)26-23)18-13-16(4)20(17(5)14-18)24-19(28)15-27(7-2)8-3/h13-14H,6-12,15H2,1-5H3,(H,24,28)(H2,25,26,29,30).
What are the key properties of 2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide?
2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide has a molecular weight of 416.57 g/mol, XLogP of 3.59, 11 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[4-(4-hexyl-2,5-dioxoimidazolidin-4-yl)-2,6-dimethylphenyl]acetamide is sourced from PubChem (CID 46227827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).