2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide

C12H19F3N2O3 — CID 170758153

IUPAC2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c1-7(9(10(19)16-3)17-8(2)18)20-6-11(4-5-11)12(13,14)15/h7,9H,4-6H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyZTJBGDJSZNHBSL-UHFFFAOYSA-N
MW296.29 g/mol
LogP0.98
Rot. Bonds6

About 2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide

2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide (PubChem CID 170758153) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide.

Molecular Properties

Compound Name2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide
PubChem CID170758153
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide
SMILESCNC(=O)C(NC(C)=O)C(C)OCC1(C(F)(F)F)CC1
InChIInChI=1S/C12H19F3N2O3/c1-7(9(10(19)16-3)17-8(2)18)20-6-11(4-5-11)12(13,14)15/h7,9H,4-6H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyZTJBGDJSZNHBSL-UHFFFAOYSA-N
XLogP0.98
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide?
The IUPAC name of 2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide (CID 170758153) is 2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide.
What is the SMILES notation for 2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide?
The canonical SMILES for 2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide is CNC(=O)C(NC(C)=O)C(C)OCC1(C(F)(F)F)CC1.
What is the InChIKey of 2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide?
The InChIKey is ZTJBGDJSZNHBSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-7(9(10(19)16-3)17-8(2)18)20-6-11(4-5-11)12(13,14)15/h7,9H,4-6H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide?
2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide has a molecular weight of 296.29 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-methyl-3-[[1-(trifluoromethyl)cyclopropyl]methoxy]butanamide is sourced from PubChem (CID 170758153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).