methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate

C12H20F3N3O3 — CID 141292205

IUPACmethyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)N1CCN(CC(F)(F)F)C1)C(C)C
InChIInChI=1S/C12H20F3N3O3/c1-8(2)9(16-11(20)21-3)10(19)18-5-4-17(7-18)6-12(13,14)15/h8-9H,4-7H2,1-3H3,(H,16,20)
InChIKeySALIUJLEQKCTSZ-UHFFFAOYSA-N
MW311.30 g/mol
LogP1.03
Rot. Bonds4

About methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate

methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate (PubChem CID 141292205) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate
PubChem CID141292205
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC Namemethyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate
SMILESCOC(=O)NC(C(=O)N1CCN(CC(F)(F)F)C1)C(C)C
InChIInChI=1S/C12H20F3N3O3/c1-8(2)9(16-11(20)21-3)10(19)18-5-4-17(7-18)6-12(13,14)15/h8-9H,4-7H2,1-3H3,(H,16,20)
InChIKeySALIUJLEQKCTSZ-UHFFFAOYSA-N
XLogP1.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate?
The IUPAC name of methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate (CID 141292205) is methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate.
What is the SMILES notation for methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate?
The canonical SMILES for methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate is COC(=O)NC(C(=O)N1CCN(CC(F)(F)F)C1)C(C)C.
What is the InChIKey of methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate?
The InChIKey is SALIUJLEQKCTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-8(2)9(16-11(20)21-3)10(19)18-5-4-17(7-18)6-12(13,14)15/h8-9H,4-7H2,1-3H3,(H,16,20).
What are the key properties of methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate?
methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate has a molecular weight of 311.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-methyl-1-oxo-1-[3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]butan-2-yl]carbamate is sourced from PubChem (CID 141292205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).