2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide

C11H18F3N3O2 — CID 71861814

IUPAC2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(CC1CCC1)CC(F)(F)F
InChIInChI=1S/C11H18F3N3O2/c1-15-10(19)16-9(18)6-17(7-11(12,13)14)5-8-3-2-4-8/h8H,2-7H2,1H3,(H2,15,16,18,19)
InChIKeyNGJOEDKEICWCEJ-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.11
Rot. Bonds5

About 2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide

2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide (PubChem CID 71861814) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide
PubChem CID71861814
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide
SMILESCNC(=O)NC(=O)CN(CC1CCC1)CC(F)(F)F
InChIInChI=1S/C11H18F3N3O2/c1-15-10(19)16-9(18)6-17(7-11(12,13)14)5-8-3-2-4-8/h8H,2-7H2,1H3,(H2,15,16,18,19)
InChIKeyNGJOEDKEICWCEJ-UHFFFAOYSA-N
XLogP1.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide?
The IUPAC name of 2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide (CID 71861814) is 2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide.
What is the SMILES notation for 2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide?
The canonical SMILES for 2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide is CNC(=O)NC(=O)CN(CC1CCC1)CC(F)(F)F.
What is the InChIKey of 2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide?
The InChIKey is NGJOEDKEICWCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-15-10(19)16-9(18)6-17(7-11(12,13)14)5-8-3-2-4-8/h8H,2-7H2,1H3,(H2,15,16,18,19).
What are the key properties of 2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide?
2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide has a molecular weight of 281.28 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclobutylmethyl(2,2,2-trifluoroethyl)amino]-N-(methylcarbamoyl)acetamide is sourced from PubChem (CID 71861814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).