(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione

C24H28N2O4 — CID 8507218

IUPAC(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3ccc(C(C)C)cc3)C2=O)cc1
InChIInChI=1S/C24H28N2O4/c1-16(2)18-7-9-19(10-8-18)21(27)15-26-22(28)24(3,25-23(26)29)14-13-17-5-11-20(30-4)12-6-17/h5-12,16H,13-15H2,1-4H3,(H,25,29)/t24-/m0/s1
InChIKeyCMOZOQGULMMOIC-DEOSSOPVSA-N
MW408.50 g/mol
LogP3.94
Rot. Bonds8

About (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione

(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione (PubChem CID 8507218) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
PubChem CID8507218
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3ccc(C(C)C)cc3)C2=O)cc1
InChIInChI=1S/C24H28N2O4/c1-16(2)18-7-9-19(10-8-18)21(27)15-26-22(28)24(3,25-23(26)29)14-13-17-5-11-20(30-4)12-6-17/h5-12,16H,13-15H2,1-4H3,(H,25,29)/t24-/m0/s1
InChIKeyCMOZOQGULMMOIC-DEOSSOPVSA-N
XLogP3.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.94
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-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 8507246
3-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 42915922
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8506922
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propan-2-ylacetamide
CID 8506856
(5S)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8677038
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 8506396
(5S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 8507248
5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-oxo-2-thiophen-2-ylethyl)imidazolidine-2,4-dione
CID 17428620
N-(4-methoxyphenyl)-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507112
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 8506914
N-[(1R)-1-cyclopropylethyl]-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8567651
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dipropylacetamide
CID 8567603

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione (CID 8507218) is (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione is COc1ccc(CC[C@]2(C)NC(=O)N(CC(=O)c3ccc(C(C)C)cc3)C2=O)cc1.
What is the InChIKey of (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione?
The InChIKey is CMOZOQGULMMOIC-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-16(2)18-7-9-19(10-8-18)21(27)15-26-22(28)24(3,25-23(26)29)14-13-17-5-11-20(30-4)12-6-17/h5-12,16H,13-15H2,1-4H3,(H,25,29)/t24-/m0/s1.
What are the key properties of (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione?
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione has a molecular weight of 408.50 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 8507218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).