2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

C22H24N2O5 — CID 8894074

IUPAC2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCCOc2ccc(C)cc2)C1=O
InChIInChI=1S/C22H24N2O5/c1-3-22(17-7-5-4-6-8-17)20(26)24(21(27)23-22)15-19(25)29-14-13-28-18-11-9-16(2)10-12-18/h4-12H,3,13-15H2,1-2H3,(H,23,27)/t22-/m1/s1
InChIKeyDLRYEHJQLOOUMY-JOCHJYFZSA-N
MW396.44 g/mol
LogP2.77
Rot. Bonds8

About 2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (PubChem CID 8894074) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
PubChem CID8894074
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCCOc2ccc(C)cc2)C1=O
InChIInChI=1S/C22H24N2O5/c1-3-22(17-7-5-4-6-8-17)20(26)24(21(27)23-22)15-19(25)29-14-13-28-18-11-9-16(2)10-12-18/h4-12H,3,13-15H2,1-2H3,(H,23,27)/t22-/m1/s1
InChIKeyDLRYEHJQLOOUMY-JOCHJYFZSA-N
XLogP2.77
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chlorophenoxy)ethyl 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309988
[2-(4-methylphenyl)-2-oxoethyl] 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55309960
4-methoxybutyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 95571136
(4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 16548597
(2,4-dimethylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 55332610
2-(4-fluorophenoxy)ethyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708214
5-ethyl-3-[2-(4-fluorophenoxy)ethyl]-5-phenylimidazolidine-2,4-dione
CID 4963392
(2-chloro-5-methylphenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 16550582
2-(4-chlorophenoxy)ethyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709567
(5S)-5-ethyl-5-(4-fluorophenyl)-3-[2-(4-methylphenoxy)ethyl]imidazolidine-2,4-dione
CID 7181227
N-ethoxy-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 42925429
[2-(4-bromophenyl)-2-oxoethyl] 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 41170271

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The IUPAC name of 2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (CID 8894074) is 2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.
What is the SMILES notation for 2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The canonical SMILES for 2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)OCCOc2ccc(C)cc2)C1=O.
What is the InChIKey of 2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The InChIKey is DLRYEHJQLOOUMY-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-3-22(17-7-5-4-6-8-17)20(26)24(21(27)23-22)15-19(25)29-14-13-28-18-11-9-16(2)10-12-18/h4-12H,3,13-15H2,1-2H3,(H,23,27)/t22-/m1/s1.
What are the key properties of 2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate has a molecular weight of 396.44 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)ethyl 2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 8894074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).