2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one

C13H22N2O2 — CID 83271014

IUPAC2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1C1CC2CCC1O2
InChIInChI=1S/C13H22N2O2/c1-8(2)5-12-14-7-13(16)15(12)10-6-9-3-4-11(10)17-9/h8-12,14H,3-7H2,1-2H3
InChIKeyZSBSFQLXCFMLNH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.11
Rot. Bonds3

About 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one

2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one (PubChem CID 83271014) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one
PubChem CID83271014
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one
SMILESCC(C)CC1NCC(=O)N1C1CC2CCC1O2
InChIInChI=1S/C13H22N2O2/c1-8(2)5-12-14-7-13(16)15(12)10-6-9-3-4-11(10)17-9/h8-12,14H,3-7H2,1-2H3
InChIKeyZSBSFQLXCFMLNH-UHFFFAOYSA-N
XLogP1.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidine-2,4-dione
CID 127761971
3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-(7-oxabicyclo[2.2.1]heptan-2-yl)pyrrolidine-1-carboxamide
CID 86800456
(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyrrolidine-1-carboxamide
CID 129429868
(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyrrolidine-1-carboxamide
CID 129429869
(3R)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyrrolidine-1-carboxamide
CID 129445682
(3S)-3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]pyrrolidine-1-carboxamide
CID 129445683
1-[(1-Cyclopropylpyrrolidin-3-yl)methyl]-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 75379965
2-(tert-butylamino)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)acetamide
CID 80601718
2-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)butanamide
CID 80716096
N-butyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)acetamide
CID 80719337
N-(2-methylpropyl)-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)propanamide
CID 80719346
2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-N-pentan-3-ylacetamide
CID 80719352

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one?
The IUPAC name of 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one (CID 83271014) is 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one.
What is the SMILES notation for 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one?
The canonical SMILES for 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one is CC(C)CC1NCC(=O)N1C1CC2CCC1O2.
What is the InChIKey of 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one?
The InChIKey is ZSBSFQLXCFMLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-8(2)5-12-14-7-13(16)15(12)10-6-9-3-4-11(10)17-9/h8-12,14H,3-7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one?
2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one has a molecular weight of 238.33 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)imidazolidin-4-one is sourced from PubChem (CID 83271014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).