(3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

C18H22N2O5 — CID 7708910

IUPAC(3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESCC(C)(C)C(=O)COC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O
InChIInChI=1S/C18H22N2O5/c1-17(2,3)13(21)11-25-14(22)10-20-15(23)18(4,19-16(20)24)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,19,24)/t18-/m0/s1
InChIKeyGRUVDUTYHSJOEH-SFHVURJKSA-N
MW346.38 g/mol
LogP1.61
Rot. Bonds5

About (3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate

(3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (PubChem CID 7708910) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is (3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.

Molecular Properties

Compound Name(3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
PubChem CID7708910
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name(3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
SMILESCC(C)(C)C(=O)COC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O
InChIInChI=1S/C18H22N2O5/c1-17(2,3)13(21)11-25-14(22)10-20-15(23)18(4,19-16(20)24)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,19,24)/t18-/m0/s1
InChIKeyGRUVDUTYHSJOEH-SFHVURJKSA-N
XLogP1.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate with MolForge

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Related Compounds

[2-(N-methylanilino)-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708935
(2-oxo-2-piperidin-1-ylethyl) 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709372
[2-(N-ethylanilino)-2-oxoethyl] 2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 47093930
[2-(2-methoxyethylamino)-2-oxoethyl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708470
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709342
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7685076
(4-methylphenyl)methyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708264
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7709054
(2-fluorophenyl)methyl 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708875
(2-anilino-2-oxoethyl) 2-[(4R)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 7711003
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708970
2-(4-fluorophenoxy)ethyl 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7708214

Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The IUPAC name of (3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate (CID 7708910) is (3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate.
What is the SMILES notation for (3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The canonical SMILES for (3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is CC(C)(C)C(=O)COC(=O)CN1C(=O)N[C@@](C)(c2ccccc2)C1=O.
What is the InChIKey of (3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
The InChIKey is GRUVDUTYHSJOEH-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N2O5/c1-17(2,3)13(21)11-25-14(22)10-20-15(23)18(4,19-16(20)24)12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,19,24)/t18-/m0/s1.
What are the key properties of (3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate?
(3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate has a molecular weight of 346.38 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2-oxobutyl) 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate is sourced from PubChem (CID 7708910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).