N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide

C23H25N3O4 — CID 17118497

IUPACN-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
SMILESC=CCN1C(=O)N(c2ccc(C)cc2)C(=O)C1CC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C23H25N3O4/c1-4-14-25-20(15-21(27)24-17-8-12-19(13-9-17)30-5-2)22(28)26(23(25)29)18-10-6-16(3)7-11-18/h4,6-13,20H,1,5,14-15H2,2-3H3,(H,24,27)
InChIKeyIZBYSLMQULXAOJ-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.75
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide

N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide (PubChem CID 17118497) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
PubChem CID17118497
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide
SMILESC=CCN1C(=O)N(c2ccc(C)cc2)C(=O)C1CC(=O)Nc1ccc(OCC)cc1
InChIInChI=1S/C23H25N3O4/c1-4-14-25-20(15-21(27)24-17-8-12-19(13-9-17)30-5-2)22(28)26(23(25)29)18-10-6-16(3)7-11-18/h4,6-13,20H,1,5,14-15H2,2-3H3,(H,24,27)
InChIKeyIZBYSLMQULXAOJ-UHFFFAOYSA-N
XLogP3.75
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.75
H-Bond Donors ≤ 51
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

methyl 4-[[2-[(4R)-1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetyl]amino]benzoate
CID 7326054
2-[(4R)-1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-phenylacetamide
CID 1256745
N-(4-ethoxyphenyl)-2-[(4S)-1-(4-methylphenyl)-3-(2-methylpropyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28701800
2-[(4R)-1-(4-chlorophenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 27136671
2-[(4S)-2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 7318099
N-(4-ethoxyphenyl)-2-[(4R)-3-(2-methoxyethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7324051
2-[(4S)-1-(4-ethoxyphenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 29080627
2-[(4R)-1-(4-ethoxyphenyl)-5-oxo-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-yl]-N-(4-propoxyphenyl)acetamide
CID 29080629
N-(4-ethoxyphenyl)-2-[(4S)-3-[(4-methoxyphenyl)methyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774827
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)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 28701835

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide (CID 17118497) is N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide is C=CCN1C(=O)N(c2ccc(C)cc2)C(=O)C1CC(=O)Nc1ccc(OCC)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
The InChIKey is IZBYSLMQULXAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-14-25-20(15-21(27)24-17-8-12-19(13-9-17)30-5-2)22(28)26(23(25)29)18-10-6-16(3)7-11-18/h4,6-13,20H,1,5,14-15H2,2-3H3,(H,24,27).
What are the key properties of N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide?
N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide has a molecular weight of 407.47 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-prop-2-enylimidazolidin-4-yl]acetamide is sourced from PubChem (CID 17118497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).