N-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide

C16H17N3O3 — CID 119040548

IUPACN-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide
SMILESC#CCC1NC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O
InChIInChI=1S/C16H17N3O3/c1-4-6-12-15(21)19(16(22)17-12)9-13(20)18-14-10(2)7-5-8-11(14)3/h1,5,7-8,12H,6,9H2,2-3H3,(H,17,22)(H,18,20)
InChIKeyHNLYYTMYZYCEQA-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.19
Rot. Bonds4

About N-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide

N-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide (PubChem CID 119040548) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide
PubChem CID119040548
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide
SMILESC#CCC1NC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O
InChIInChI=1S/C16H17N3O3/c1-4-6-12-15(21)19(16(22)17-12)9-13(20)18-14-10(2)7-5-8-11(14)3/h1,5,7-8,12H,6,9H2,2-3H3,(H,17,22)(H,18,20)
InChIKeyHNLYYTMYZYCEQA-UHFFFAOYSA-N
XLogP1.19
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51864031
methyl 4-[[2-[(4R)-2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl]acetyl]amino]benzoate
CID 124881965
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2463070
N-(2,6-dimethylphenyl)-2-(3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl)acetamide
CID 53276734
N-(2,6-dimethylphenyl)-2-(3-methyl-2-oxo-3,4-dihydroquinoxalin-1-yl)acetamide
CID 82156922
N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 710877
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 29170365
N-[2,6-di(propan-2-yl)phenyl]-2-[4-(2-methylsulfanylethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 3967620
N-(2,6-dimethylphenyl)-2-(3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl)acetamide
CID 5205082
3-benzyl-5-prop-2-ynylimidazolidine-2,4-dione
CID 106509603
N-[1-(2-methylphenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 17400640
N-(2,6-dimethylphenyl)-2-[3-[(1S,2S)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7800366

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide (CID 119040548) is N-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide is C#CCC1NC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide?
The InChIKey is HNLYYTMYZYCEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-4-6-12-15(21)19(16(22)17-12)9-13(20)18-14-10(2)7-5-8-11(14)3/h1,5,7-8,12H,6,9H2,2-3H3,(H,17,22)(H,18,20).
What are the key properties of N-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide?
N-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide has a molecular weight of 299.33 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(2,5-dioxo-4-prop-2-ynylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 119040548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).