[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

C17H18N2O6 — CID 7710915

IUPAC[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)O[C@@H]3CCOC3=O)C2=O)cc1
InChIInChI=1S/C17H18N2O6/c1-10-3-5-11(6-4-10)17(2)15(22)19(16(23)18-17)9-13(20)25-12-7-8-24-14(12)21/h3-6,12H,7-9H2,1-2H3,(H,18,23)/t12-,17+/m1/s1
InChIKeyNWLGWIPDRLQNFF-PXAZEXFGSA-N
MW346.34 g/mol
LogP0.62
Rot. Bonds4

About [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate

[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (PubChem CID 7710915) has the molecular formula C17H18N2O6 and a molecular weight of 346.34 g/mol. Its IUPAC name is [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
PubChem CID7710915
Molecular FormulaC17H18N2O6
Molecular Weight346.34 g/mol
Exact Mass346.12
IUPAC Name[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
SMILESCc1ccc([C@]2(C)NC(=O)N(CC(=O)O[C@@H]3CCOC3=O)C2=O)cc1
InChIInChI=1S/C17H18N2O6/c1-10-3-5-11(6-4-10)17(2)15(22)19(16(23)18-17)9-13(20)25-12-7-8-24-14(12)21/h3-6,12H,7-9H2,1-2H3,(H,18,23)/t12-,17+/m1/s1
InChIKeyNWLGWIPDRLQNFF-PXAZEXFGSA-N
XLogP0.62
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708903
cycloheptyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97005692
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7710156
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 8572471
N-cyclopentyl-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2582043
(5R)-3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242654
[(2R)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 8572564
(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242527
N,N-dicyclohexyl-2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42964935
(4-fluorophenyl)methyl 2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 84603716
2-(4-chlorophenoxy)ethyl 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709567
[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl] 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7709979

Frequently Asked Questions

What is the IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The IUPAC name of [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate (CID 7710915) is [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate.
What is the SMILES notation for [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The canonical SMILES for [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is Cc1ccc([C@]2(C)NC(=O)N(CC(=O)O[C@@H]3CCOC3=O)C2=O)cc1.
What is the InChIKey of [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
The InChIKey is NWLGWIPDRLQNFF-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H18N2O6/c1-10-3-5-11(6-4-10)17(2)15(22)19(16(23)18-17)9-13(20)25-12-7-8-24-14(12)21/h3-6,12H,7-9H2,1-2H3,(H,18,23)/t12-,17+/m1/s1.
What are the key properties of [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate?
[(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate has a molecular weight of 346.34 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2-oxooxolan-3-yl] 2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 7710915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).