2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide

C21H20N4O4 — CID 2100046

IUPAC2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C21H20N4O4/c1-2-13-22-19(28)23-17(26)14-25-18(27)21(24-20(25)29,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,24,29)(H2,22,23,26,28)
InChIKeyCYPRWRKMTALJSZ-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.49
Rot. Bonds6

About 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide

2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 2100046) has the molecular formula C21H20N4O4 and a molecular weight of 392.42 g/mol. Its IUPAC name is 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID2100046
Molecular FormulaC21H20N4O4
Molecular Weight392.42 g/mol
Exact Mass392.15
IUPAC Name2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C21H20N4O4/c1-2-13-22-19(28)23-17(26)14-25-18(27)21(24-20(25)29,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,24,29)(H2,22,23,26,28)
InChIKeyCYPRWRKMTALJSZ-UHFFFAOYSA-N
XLogP1.49
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 40857194
2-(2,4-dioxo-7-thia-1,3-diazaspiro[4.4]nonan-3-yl)-N-(prop-2-enylcarbamoyl)acetamide
CID 42979279
N-[(2,3-dimethylphenyl)carbamoyl]-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 27028204
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 42964494
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 84601269
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 2691233
2-[4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(prop-2-enylcarbamoyl)acetamide
CID 4804693
N-(2-bromophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 4045289
N-(4-cyanophenyl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 5036756
3-(2-oxobutyl)-5,5-diphenylimidazolidine-2,4-dione
CID 51108463
2-(2',5'-dioxospiro[2,4-dihydro-1H-naphthalene-3,4'-imidazolidine]-1'-yl)-N-prop-2-enylacetamide
CID 84601367
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 2117749

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide (CID 2100046) is 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is CYPRWRKMTALJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O4/c1-2-13-22-19(28)23-17(26)14-25-18(27)21(24-20(25)29,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,24,29)(H2,22,23,26,28).
What are the key properties of 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 392.42 g/mol, XLogP of 1.49, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 2100046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).