2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide

C13H18N4O3 — CID 106385844

IUPAC2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESCCC1(C)NC(=O)N(CC(=O)NCc2cc[nH]c2)C1=O
InChIInChI=1S/C13H18N4O3/c1-3-13(2)11(19)17(12(20)16-13)8-10(18)15-7-9-4-5-14-6-9/h4-6,14H,3,7-8H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyCXYNDSNEIOTHIW-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.35
Rot. Bonds5

About 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide

2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide (PubChem CID 106385844) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
PubChem CID106385844
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide
SMILESCCC1(C)NC(=O)N(CC(=O)NCc2cc[nH]c2)C1=O
InChIInChI=1S/C13H18N4O3/c1-3-13(2)11(19)17(12(20)16-13)8-10(18)15-7-9-4-5-14-6-9/h4-6,14H,3,7-8H2,1-2H3,(H,15,18)(H,16,20)
InChIKeyCXYNDSNEIOTHIW-UHFFFAOYSA-N
XLogP0.35
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385438
N-[2-(4-chlorophenyl)ethyl]-2-[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916679
N-[(2,4-dichlorophenyl)methyl]-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916685
3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoic acid
CID 43170651
methyl 3-[[2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]propanoate
CID 60636188
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(5-hydroxypentyl)acetamide
CID 107319254
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 115362807
N-benzyl-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138882
N-(4-chlorophenyl)-2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7916645
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(2-hydroxy-2-methylpentyl)acetamide
CID 106289583
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-hydroxy-2-methylbutyl)acetamide
CID 66107491
2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-iodophenyl)acetamide
CID 7916609

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide (CID 106385844) is 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide is CCC1(C)NC(=O)N(CC(=O)NCc2cc[nH]c2)C1=O.
What is the InChIKey of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide?
The InChIKey is CXYNDSNEIOTHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-3-13(2)11(19)17(12(20)16-13)8-10(18)15-7-9-4-5-14-6-9/h4-6,14H,3,7-8H2,1-2H3,(H,15,18)(H,16,20).
What are the key properties of 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide?
2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide has a molecular weight of 278.31 g/mol, XLogP of 0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(1H-pyrrol-3-ylmethyl)acetamide is sourced from PubChem (CID 106385844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).