phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate

C17H22N2O4 — CID 8765116

IUPACphenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Oc2ccccc2)C1=O
InChIInChI=1S/C17H22N2O4/c1-3-10-17(11-4-2)15(21)19(16(22)18-17)12-14(20)23-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,18,22)
InChIKeyKDGFRAAUNWVMAH-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.48
Rot. Bonds7

About phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate

phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate (PubChem CID 8765116) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Namephenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
PubChem CID8765116
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namephenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
SMILESCCCC1(CCC)NC(=O)N(CC(=O)Oc2ccccc2)C1=O
InChIInChI=1S/C17H22N2O4/c1-3-10-17(11-4-2)15(21)19(16(22)18-17)12-14(20)23-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,18,22)
InChIKeyKDGFRAAUNWVMAH-UHFFFAOYSA-N
XLogP2.48
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617485
3-[2-oxo-2-(2-phenyl-1H-indol-3-yl)ethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 42984126
[(1S)-1-(4-oxo-3H-quinazolin-2-yl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 135758750
3-[2-(4-chlorophenyl)-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 29156188
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methylsulfanylphenyl)acetamide
CID 7242029
(4-cyanophenyl) 2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetate
CID 16548597
[2-(4-acetamidophenyl)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617439
methyl 4-[2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]oxybenzoate
CID 8961265
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617394
[2-(4-tert-butylanilino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617508
3-[2-[4-(2-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dipropylimidazolidine-2,4-dione
CID 9082251
[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8982182

Frequently Asked Questions

What is the IUPAC name of phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The IUPAC name of phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate (CID 8765116) is phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate.
What is the SMILES notation for phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The canonical SMILES for phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate is CCCC1(CCC)NC(=O)N(CC(=O)Oc2ccccc2)C1=O.
What is the InChIKey of phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The InChIKey is KDGFRAAUNWVMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-10-17(11-4-2)15(21)19(16(22)18-17)12-14(20)23-13-8-6-5-7-9-13/h5-9H,3-4,10-12H2,1-2H3,(H,18,22).
What are the key properties of phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate has a molecular weight of 318.37 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate is sourced from PubChem (CID 8765116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).