2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate

C16H24N2O4 — CID 86776670

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC1(C)NC(=O)N(CCOC(=O)CC2CC3CCC2C3)C1=O
InChIInChI=1S/C16H24N2O4/c1-16(2)14(20)18(15(21)17-16)5-6-22-13(19)9-12-8-10-3-4-11(12)7-10/h10-12H,3-9H2,1-2H3,(H,17,21)
InChIKeyGWTMIMWGFZITEC-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.69
Rot. Bonds5

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate (PubChem CID 86776670) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
PubChem CID86776670
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
SMILESCC1(C)NC(=O)N(CCOC(=O)CC2CC3CCC2C3)C1=O
InChIInChI=1S/C16H24N2O4/c1-16(2)14(20)18(15(21)17-16)5-6-22-13(19)9-12-8-10-3-4-11(12)7-10/h10-12H,3-9H2,1-2H3,(H,17,21)
InChIKeyGWTMIMWGFZITEC-UHFFFAOYSA-N
XLogP1.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)ethyl 2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556654
propyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 43389559
ethyl 2-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 10655027
[2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)amino]-2-oxoethyl] 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 5061304
[2-(1-adamantyl)-2-oxoethyl] 3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)propanoate
CID 8656894
(1,3-dioxoisoindol-2-yl)methyl 2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 7810349
(1,3-dioxoisoindol-2-yl)methyl 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916756
[4-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]oxymethyl]phenyl]methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 23850335
[2-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-oxoethyl] 2-[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11916769
(1-propyltetrazol-5-yl)methyl 2-(2-bicyclo[2.2.1]heptanyl)acetate
CID 55397357
[(2R)-1-amino-1-oxopropan-2-yl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 22525444
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11923520

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate (CID 86776670) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate is CC1(C)NC(=O)N(CCOC(=O)CC2CC3CCC2C3)C1=O.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
The InChIKey is GWTMIMWGFZITEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2)14(20)18(15(21)17-16)5-6-22-13(19)9-12-8-10-3-4-11(12)7-10/h10-12H,3-9H2,1-2H3,(H,17,21).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate has a molecular weight of 308.38 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)ethyl 2-(2-bicyclo[2.2.1]heptanyl)acetate is sourced from PubChem (CID 86776670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).