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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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).