N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H21F3N2O2 — CID 95906518

IUPACN-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCO[C@]1(C)C[C@@H](NC(=O)CNCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H21F3N2O2/c1-10(2)8(5-11(10,3)19-4)17-9(18)6-16-7-12(13,14)15/h8,16H,5-7H2,1-4H3,(H,17,18)/t8-,11-/m1/s1
InChIKeyHYNSTUKFBDOELP-LDYMZIIASA-N
MW282.31 g/mol
LogP1.46
Rot. Bonds5

About N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 95906518) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID95906518
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCO[C@]1(C)C[C@@H](NC(=O)CNCC(F)(F)F)C1(C)C
InChIInChI=1S/C12H21F3N2O2/c1-10(2)8(5-11(10,3)19-4)17-9(18)6-16-7-12(13,14)15/h8,16H,5-7H2,1-4H3,(H,17,18)/t8-,11-/m1/s1
InChIKeyHYNSTUKFBDOELP-LDYMZIIASA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 95906518) is N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide is CO[C@]1(C)C[C@@H](NC(=O)CNCC(F)(F)F)C1(C)C.
What is the InChIKey of N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is HYNSTUKFBDOELP-LDYMZIIASA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-10(2)8(5-11(10,3)19-4)17-9(18)6-16-7-12(13,14)15/h8,16H,5-7H2,1-4H3,(H,17,18)/t8-,11-/m1/s1.
What are the key properties of N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-methoxy-2,2,3-trimethylcyclobutyl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 95906518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).