2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

C11H19F3N2O2 — CID 114119100

IUPAC2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOC1CC(NCC(=O)NCC(F)(F)F)C1(C)C
InChIInChI=1S/C11H19F3N2O2/c1-10(2)7(4-8(10)18-3)15-5-9(17)16-6-11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyLVCWBMTYRZSLNF-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.07
Rot. Bonds5

About 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 114119100) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID114119100
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOC1CC(NCC(=O)NCC(F)(F)F)C1(C)C
InChIInChI=1S/C11H19F3N2O2/c1-10(2)7(4-8(10)18-3)15-5-9(17)16-6-11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17)
InChIKeyLVCWBMTYRZSLNF-UHFFFAOYSA-N
XLogP1.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide (CID 114119100) is 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is COC1CC(NCC(=O)NCC(F)(F)F)C1(C)C.
What is the InChIKey of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is LVCWBMTYRZSLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-10(2)7(4-8(10)18-3)15-5-9(17)16-6-11(12,13)14/h7-8,15H,4-6H2,1-3H3,(H,16,17).
What are the key properties of 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxy-2,2-dimethylcyclobutyl)amino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 114119100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).