(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione

C20H20N2O4 — CID 7595526

IUPAC(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O4/c1-3-20(15-9-11-16(26-2)12-10-15)18(24)22(19(25)21-20)13-17(23)14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,21,25)/t20-/m0/s1
InChIKeyGSKIVEGAQAYKQV-FQEVSTJZSA-N
MW352.39 g/mol
LogP2.74
Rot. Bonds6

About (5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione

(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione (PubChem CID 7595526) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is (5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
PubChem CID7595526
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Name(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
SMILESCC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O
InChIInChI=1S/C20H20N2O4/c1-3-20(15-9-11-16(26-2)12-10-15)18(24)22(19(25)21-20)13-17(23)14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,21,25)/t20-/m0/s1
InChIKeyGSKIVEGAQAYKQV-FQEVSTJZSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.74
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

(5R)-5-(4-chlorophenyl)-5-ethyl-3-phenacylimidazolidine-2,4-dione
CID 2680959
(5R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595570
(5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7489664
(5R)-5-ethyl-3-[2-(4-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7179651
3-[2-(4-aminophenyl)-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 68734886
2-[4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(1-phenylethyl)acetamide
CID 18194558
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylbutyl]acetamide
CID 7802468
3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 43031032
(5R)-3-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7630821
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione
CID 30362342
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 7595447
2-[(4S)-4-ethyl-4-(4-methoxyphenyl)-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
CID 8565898

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione (CID 7595526) is (5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione is CC[C@@]1(c2ccc(OC)cc2)NC(=O)N(CC(=O)c2ccccc2)C1=O.
What is the InChIKey of (5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione?
The InChIKey is GSKIVEGAQAYKQV-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-20(15-9-11-16(26-2)12-10-15)18(24)22(19(25)21-20)13-17(23)14-7-5-4-6-8-14/h4-12H,3,13H2,1-2H3,(H,21,25)/t20-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione?
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione has a molecular weight of 352.39 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione is sourced from PubChem (CID 7595526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).