(2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

C21H21N3O5 — CID 7711003

IUPAC(2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCC(=O)Nc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-14-8-10-15(11-9-14)21(2)19(27)24(20(28)23-21)12-18(26)29-13-17(25)22-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,28)/t21-/m1/s1
InChIKeyWEFBTEMJSHDRJC-OAQYLSRUSA-N
MW395.42 g/mol
LogP1.94
Rot. Bonds6

About (2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

(2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 7711003) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID7711003
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name(2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCC(=O)Nc3ccccc3)C2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-14-8-10-15(11-9-14)21(2)19(27)24(20(28)23-21)12-18(26)29-13-17(25)22-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,28)/t21-/m1/s1
InChIKeyWEFBTEMJSHDRJC-OAQYLSRUSA-N
XLogP1.94
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxyanilino)-2-oxoethyl] 2-[(4R)-4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786512
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7711066
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 92786663
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708970
(4-methylphenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708264
(2-anilino-2-oxoethyl) 2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetate
CID 2557134
[2-(ethylcarbamoylamino)-2-oxoethyl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710133
N-(4-fluorophenyl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2581954
[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709504
[2-oxo-2-(4-sulfamoylanilino)ethyl] 2-[(4S)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]acetate
CID 25415299
(2-anilino-2-oxoethyl) 2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7652117
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708470

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 7711003) is (2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)OCC(=O)Nc3ccccc3)C2=O)cc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is WEFBTEMJSHDRJC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-14-8-10-15(11-9-14)21(2)19(27)24(20(28)23-21)12-18(26)29-13-17(25)22-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,25)(H,23,28)/t21-/m1/s1.
What are the key properties of (2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
(2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 395.42 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 7711003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).