2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide

C12H21N3O4 — CID 82722817

IUPAC2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide
SMILESCCC1(C)NC(=O)N(CC(=O)NOCC(C)C)C1=O
InChIInChI=1S/C12H21N3O4/c1-5-12(4)10(17)15(11(18)13-12)6-9(16)14-19-7-8(2)3/h8H,5-7H2,1-4H3,(H,13,18)(H,14,16)
InChIKeyQCRAUKZMDSMEEZ-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.41
Rot. Bonds6

About 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide

2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide (PubChem CID 82722817) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide
PubChem CID82722817
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide
SMILESCCC1(C)NC(=O)N(CC(=O)NOCC(C)C)C1=O
InChIInChI=1S/C12H21N3O4/c1-5-12(4)10(17)15(11(18)13-12)6-9(16)14-19-7-8(2)3/h8H,5-7H2,1-4H3,(H,13,18)(H,14,16)
InChIKeyQCRAUKZMDSMEEZ-UHFFFAOYSA-N
XLogP0.41
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide?
The IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide (CID 82722817) is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide.
What is the SMILES notation for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide?
The canonical SMILES for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide is CCC1(C)NC(=O)N(CC(=O)NOCC(C)C)C1=O.
What is the InChIKey of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide?
The InChIKey is QCRAUKZMDSMEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-5-12(4)10(17)15(11(18)13-12)6-9(16)14-19-7-8(2)3/h8H,5-7H2,1-4H3,(H,13,18)(H,14,16).
What are the key properties of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide?
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide has a molecular weight of 271.32 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-methylpropoxy)acetamide is sourced from PubChem (CID 82722817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).