N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide

C18H25N3O3 — CID 134057951

IUPACN-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N(C)CC(C)C)C2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-12(2)10-20(5)15(22)11-21-16(23)18(4,19-17(21)24)14-8-6-13(3)7-9-14/h6-9,12H,10-11H2,1-5H3,(H,19,24)
InChIKeyWIXMEJDPAFHKFU-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.88
Rot. Bonds5

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

N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 134057951) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID134057951
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCc1ccc(C2(C)NC(=O)N(CC(=O)N(C)CC(C)C)C2=O)cc1
InChIInChI=1S/C18H25N3O3/c1-12(2)10-20(5)15(22)11-21-16(23)18(4,19-17(21)24)14-8-6-13(3)7-9-14/h6-9,12H,10-11H2,1-5H3,(H,19,24)
InChIKeyWIXMEJDPAFHKFU-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
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-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide (CID 134057951) is N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide is Cc1ccc(C2(C)NC(=O)N(CC(=O)N(C)CC(C)C)C2=O)cc1.
What is the InChIKey of N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is WIXMEJDPAFHKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12(2)10-20(5)15(22)11-21-16(23)18(4,19-17(21)24)14-8-6-13(3)7-9-14/h6-9,12H,10-11H2,1-5H3,(H,19,24).
What are the key properties of N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide?
N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 331.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 134057951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).