N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide

C18H25N3O3 — CID 84601226

IUPACN,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
SMILESCC(C)CC1(C)NC(=O)N(Cc2ccc(C(=O)N(C)C)cc2)C1=O
InChIInChI=1S/C18H25N3O3/c1-12(2)10-18(3)16(23)21(17(24)19-18)11-13-6-8-14(9-7-13)15(22)20(4)5/h6-9,12H,10-11H2,1-5H3,(H,19,24)
InChIKeyLHAYKWVQERBMAD-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.24
Rot. Bonds5

About N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide

N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide (PubChem CID 84601226) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
PubChem CID84601226
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
SMILESCC(C)CC1(C)NC(=O)N(Cc2ccc(C(=O)N(C)C)cc2)C1=O
InChIInChI=1S/C18H25N3O3/c1-12(2)10-18(3)16(23)21(17(24)19-18)11-13-6-8-14(9-7-13)15(22)20(4)5/h6-9,12H,10-11H2,1-5H3,(H,19,24)
InChIKeyLHAYKWVQERBMAD-UHFFFAOYSA-N
XLogP2.24
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N,N-dimethylbenzamide
CID 84601474
N,N-dimethyl-4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide
CID 84601218
(5R)-3-[2-(4-chlorophenyl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2711199
4-[[4-(2,3-dihydro-1H-inden-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 78764207
N-benzyl-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138882
N-methyl-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 84601250
(5R)-3-benzyl-5-methyl-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 7180689
(5R)-3-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-5-methyl-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 2438011
(5R)-5-methyl-5-(3-methylbutyl)-3-[(4-methylsulfanylphenyl)methyl]imidazolidine-2,4-dione
CID 7180813
(5S)-5-methyl-5-(2-methylpropyl)-3-[(5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl]imidazolidine-2,4-dione
CID 2583340
(5R)-5-methyl-5-(2-methylpropyl)-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
CID 95597576
2-[2-[(4S)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]ethyl]isoindole-1,3-dione
CID 2583395

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The IUPAC name of N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide (CID 84601226) is N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide is CC(C)CC1(C)NC(=O)N(Cc2ccc(C(=O)N(C)C)cc2)C1=O.
What is the InChIKey of N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
The InChIKey is LHAYKWVQERBMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)10-18(3)16(23)21(17(24)19-18)11-13-6-8-14(9-7-13)15(22)20(4)5/h6-9,12H,10-11H2,1-5H3,(H,19,24).
What are the key properties of N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide?
N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide has a molecular weight of 331.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 84601226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).