2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide

C22H23N3O3 — CID 45106613

IUPAC2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide
SMILESC=CCN1C(=O)N(c2ccccc2)C(=O)C1CC(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C22H23N3O3/c1-3-14-24-19(15-20(26)23-17-12-10-16(4-2)11-13-17)21(27)25(22(24)28)18-8-6-5-7-9-18/h3,5-13,19H,1,4,14-15H2,2H3,(H,23,26)
InChIKeyDKDCBRQHFHPMGC-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.60
Rot. Bonds7

About 2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide

2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide (PubChem CID 45106613) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide
PubChem CID45106613
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide
SMILESC=CCN1C(=O)N(c2ccccc2)C(=O)C1CC(=O)Nc1ccc(CC)cc1
InChIInChI=1S/C22H23N3O3/c1-3-14-24-19(15-20(26)23-17-12-10-16(4-2)11-13-17)21(27)25(22(24)28)18-8-6-5-7-9-18/h3,5-13,19H,1,4,14-15H2,2H3,(H,23,26)
InChIKeyDKDCBRQHFHPMGC-UHFFFAOYSA-N
XLogP3.60
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide
CID 40520439
2-[(4S)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 7268939
2-[(4S)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 7318099
2-[(4R)-1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide
CID 1256745
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 4874620
N-(4-ethylphenyl)-2-[3-(furan-2-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 17118503
2-[(4S)-2,5-dioxo-1-phenyl-3-propan-2-ylimidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 7340927
methyl 4-[[2-[(4R)-1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate
CID 7326054
2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 92742885
N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 17118497
N-(4-chlorophenyl)-2-[(4R)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 28874003
2-[(4R)-5-oxo-1-phenyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 7613748

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide (CID 45106613) is 2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide is C=CCN1C(=O)N(c2ccccc2)C(=O)C1CC(=O)Nc1ccc(CC)cc1.
What is the InChIKey of 2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide?
The InChIKey is DKDCBRQHFHPMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-3-14-24-19(15-20(26)23-17-12-10-16(4-2)11-13-17)21(27)25(22(24)28)18-8-6-5-7-9-18/h3,5-13,19H,1,4,14-15H2,2H3,(H,23,26).
What are the key properties of 2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide?
2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 45106613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).