2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C14H20F3N3O3 — CID 71868449

IUPAC2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(C(C)NC(=O)NCC(=O)N(C)CC(F)(F)F)c(C)o1
InChIInChI=1S/C14H20F3N3O3/c1-8-5-11(10(3)23-8)9(2)19-13(22)18-6-12(21)20(4)7-14(15,16)17/h5,9H,6-7H2,1-4H3,(H2,18,19,22)
InChIKeyLPJRKAPTYLIVSU-UHFFFAOYSA-N
MW335.33 g/mol
LogP2.28
Rot. Bonds5

About 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71868449) has the molecular formula C14H20F3N3O3 and a molecular weight of 335.33 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71868449
Molecular FormulaC14H20F3N3O3
Molecular Weight335.33 g/mol
Exact Mass335.15
IUPAC Name2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cc(C(C)NC(=O)NCC(=O)N(C)CC(F)(F)F)c(C)o1
InChIInChI=1S/C14H20F3N3O3/c1-8-5-11(10(3)23-8)9(2)19-13(22)18-6-12(21)20(4)7-14(15,16)17/h5,9H,6-7H2,1-4H3,(H2,18,19,22)
InChIKeyLPJRKAPTYLIVSU-UHFFFAOYSA-N
XLogP2.28
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 71868449) is 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is Cc1cc(C(C)NC(=O)NCC(=O)N(C)CC(F)(F)F)c(C)o1.
What is the InChIKey of 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LPJRKAPTYLIVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3/c1-8-5-11(10(3)23-8)9(2)19-13(22)18-6-12(21)20(4)7-14(15,16)17/h5,9H,6-7H2,1-4H3,(H2,18,19,22).
What are the key properties of 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 335.33 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylfuran-3-yl)ethylcarbamoylamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71868449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).