2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

C27H27N3O4 — CID 41140598

IUPAC2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C27H27N3O4/c1-2-34-23-15-13-21(14-16-23)28-25(31)19-24-26(32)30(22-11-7-4-8-12-22)27(33)29(24)18-17-20-9-5-3-6-10-20/h3-16,24H,2,17-19H2,1H3,(H,28,31)/t24-/m0/s1
InChIKeyDDFFCJPCZPTCPS-DEOSSOPVSA-N
MW457.53 g/mol
LogP4.49
Rot. Bonds9

About 2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide

2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide (PubChem CID 41140598) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
PubChem CID41140598
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
SMILESCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CCc2ccccc2)cc1
InChIInChI=1S/C27H27N3O4/c1-2-34-23-15-13-21(14-16-23)28-25(31)19-24-26(32)30(22-11-7-4-8-12-22)27(33)29(24)18-17-20-9-5-3-6-10-20/h3-16,24H,2,17-19H2,1H3,(H,28,31)/t24-/m0/s1
InChIKeyDDFFCJPCZPTCPS-DEOSSOPVSA-N
XLogP4.49
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-chlorophenyl)-2,5-dioxo-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 4030854
N-(4-ethoxyphenyl)-2-[(4R)-1-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 28701853
N-(4-ethoxyphenyl)-2-[(4R)-5-oxo-1-phenyl-3-(3-phenylpropyl)-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 41222162
2-[3-[2-(4-chlorophenyl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 3531785
N-(4-ethoxyphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 4568240
2-[(4S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide
CID 28701835
2-[(4S)-1-(4-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-phenylacetamide
CID 40774817
N-(4-ethoxyphenyl)-2-(3-heptyl-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl)acetamide
CID 5093361
N-(4-ethoxyphenyl)-2-[(4R)-3-(2-methoxyethyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 7324051
N-(4-methoxyphenyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetamide
CID 3140278
ethyl 4-[[2-[(4S)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 94856434
2-[(4S)-2,5-dioxo-1-phenyl-3-(2-thiophen-2-ylethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 40785156

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The IUPAC name of 2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide (CID 41140598) is 2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide is CCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=O)N2CCc2ccccc2)cc1.
What is the InChIKey of 2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
The InChIKey is DDFFCJPCZPTCPS-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-2-34-23-15-13-21(14-16-23)28-25(31)19-24-26(32)30(22-11-7-4-8-12-22)27(33)29(24)18-17-20-9-5-3-6-10-20/h3-16,24H,2,17-19H2,1H3,(H,28,31)/t24-/m0/s1.
What are the key properties of 2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide?
2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide has a molecular weight of 457.53 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2,5-dioxo-1-phenyl-3-(2-phenylethyl)imidazolidin-4-yl]-N-(4-ethoxyphenyl)acetamide is sourced from PubChem (CID 41140598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).