2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide

C20H19N3O3 — CID 40520439

IUPAC2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide
SMILESC=CCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C20H19N3O3/c1-2-13-22-17(14-18(24)21-15-9-5-3-6-10-15)19(25)23(20(22)26)16-11-7-4-8-12-16/h2-12,17H,1,13-14H2,(H,21,24)/t17-/m1/s1
InChIKeyOVXWKQDUUUVPRB-QGZVFWFLSA-N
MW349.39 g/mol
LogP3.04
Rot. Bonds6

About 2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide

2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide (PubChem CID 40520439) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide
PubChem CID40520439
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide
SMILESC=CCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccccc1
InChIInChI=1S/C20H19N3O3/c1-2-13-22-17(14-18(24)21-15-9-5-3-6-10-15)19(25)23(20(22)26)16-11-7-4-8-12-16/h2-12,17H,1,13-14H2,(H,21,24)/t17-/m1/s1
InChIKeyOVXWKQDUUUVPRB-QGZVFWFLSA-N
XLogP3.04
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.04
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)-1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide
CID 1256745
2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 45106613
2-[(4S)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 7268939
N-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 4874620
2-[(4S)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 7318099
N-(4-chlorophenyl)-2-[(4R)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 28874003
methyl 4-[[2-[(4R)-1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate
CID 7326054
N-(3-fluorophenyl)-2-[(4S)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 1256526
N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 17118497
N-(3,5-dimethoxyphenyl)-2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
CID 92742879
ethyl 3-[[2-[(4R)-1-(3-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate
CID 41002049
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-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide?
The IUPAC name of 2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide (CID 40520439) is 2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide is C=CCN1C(=O)N(c2ccccc2)C(=O)[C@H]1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide?
The InChIKey is OVXWKQDUUUVPRB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-13-22-17(14-18(24)21-15-9-5-3-6-10-15)19(25)23(20(22)26)16-11-7-4-8-12-16/h2-12,17H,1,13-14H2,(H,21,24)/t17-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide?
2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide has a molecular weight of 349.39 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide is sourced from PubChem (CID 40520439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).