N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide

C15H24F3N3O3 — CID 128634210

IUPACN-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide
SMILESCC1(C)CC(CNC(=O)N2CC(=O)N(CCC(F)(F)F)C2)CCO1
InChIInChI=1S/C15H24F3N3O3/c1-14(2)7-11(3-6-24-14)8-19-13(23)21-9-12(22)20(10-21)5-4-15(16,17)18/h11H,3-10H2,1-2H3,(H,19,23)
InChIKeyQRBJQMVSRJJTTE-UHFFFAOYSA-N
MW351.37 g/mol
LogP1.96
Rot. Bonds4

About N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide

N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide (PubChem CID 128634210) has the molecular formula C15H24F3N3O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide
PubChem CID128634210
Molecular FormulaC15H24F3N3O3
Molecular Weight351.37 g/mol
Exact Mass351.18
IUPAC NameN-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide
SMILESCC1(C)CC(CNC(=O)N2CC(=O)N(CCC(F)(F)F)C2)CCO1
InChIInChI=1S/C15H24F3N3O3/c1-14(2)7-11(3-6-24-14)8-19-13(23)21-9-12(22)20(10-21)5-4-15(16,17)18/h11H,3-10H2,1-2H3,(H,19,23)
InChIKeyQRBJQMVSRJJTTE-UHFFFAOYSA-N
XLogP1.96
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide?
The IUPAC name of N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide (CID 128634210) is N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide.
What is the SMILES notation for N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide?
The canonical SMILES for N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide is CC1(C)CC(CNC(=O)N2CC(=O)N(CCC(F)(F)F)C2)CCO1.
What is the InChIKey of N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide?
The InChIKey is QRBJQMVSRJJTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O3/c1-14(2)7-11(3-6-24-14)8-19-13(23)21-9-12(22)20(10-21)5-4-15(16,17)18/h11H,3-10H2,1-2H3,(H,19,23).
What are the key properties of N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide?
N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyloxan-4-yl)methyl]-4-oxo-3-(3,3,3-trifluoropropyl)imidazolidine-1-carboxamide is sourced from PubChem (CID 128634210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).