(4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

C21H20N2O6 — CID 31504133

IUPAC(4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)Oc3ccc(C(C)=O)cc3)C2=O)cc1
InChIInChI=1S/C21H20N2O6/c1-13(24)14-4-8-17(9-5-14)29-18(25)12-23-19(26)21(2,22-20(23)27)15-6-10-16(28-3)11-7-15/h4-11H,12H2,1-3H3,(H,22,27)/t21-/m1/s1
InChIKeyDTGODCVVNMPDBL-OAQYLSRUSA-N
MW396.40 g/mol
LogP2.27
Rot. Bonds6

About (4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate

(4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 31504133) has the molecular formula C21H20N2O6 and a molecular weight of 396.40 g/mol. Its IUPAC name is (4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name(4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID31504133
Molecular FormulaC21H20N2O6
Molecular Weight396.40 g/mol
Exact Mass396.13
IUPAC Name(4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCOc1ccc([C@@]2(C)NC(=O)N(CC(=O)Oc3ccc(C(C)=O)cc3)C2=O)cc1
InChIInChI=1S/C21H20N2O6/c1-13(24)14-4-8-17(9-5-14)29-18(25)12-23-19(26)21(2,22-20(23)27)15-6-10-16(28-3)11-7-15/h4-11H,12H2,1-3H3,(H,22,27)/t21-/m1/s1
InChIKeyDTGODCVVNMPDBL-OAQYLSRUSA-N
XLogP2.27
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxybenzoate
CID 8961265
(4-chloro-3,5-dimethylphenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55779436
tert-butyl 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 42898029
(3-methyl-4-nitrophenyl) 2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 55371785
(5S)-3-(2-bromoprop-2-enyl)-5-(4-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 95303678
[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786512
methyl 4-[[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]methyl]benzoate
CID 4805307
[(2S)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-[(4S)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786580
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119504052
2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-pentan-3-ylacetamide
CID 17403701
N-[2-(4-methoxyphenoxy)ethyl]-2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55416466
(2S)-2-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid
CID 119943115

Frequently Asked Questions

What is the IUPAC name of (4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of (4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate (CID 31504133) is (4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for (4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for (4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is COc1ccc([C@@]2(C)NC(=O)N(CC(=O)Oc3ccc(C(C)=O)cc3)C2=O)cc1.
What is the InChIKey of (4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is DTGODCVVNMPDBL-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20N2O6/c1-13(24)14-4-8-17(9-5-14)29-18(25)12-23-19(26)21(2,22-20(23)27)15-6-10-16(28-3)11-7-15/h4-11H,12H2,1-3H3,(H,22,27)/t21-/m1/s1.
What are the key properties of (4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate?
(4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 396.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-acetylphenyl) 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 31504133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).