3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide

C7H13F3N2O2 — CID 106111811

IUPAC3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOC(CN)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-12(4-7(8,9)10)6(13)5(3-11)14-2/h5H,3-4,11H2,1-2H3
InChIKeyGDBAKZDBKGVCIC-UHFFFAOYSA-N
MW214.19 g/mol
LogP-0.02
Rot. Bonds4

About 3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide

3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 106111811) has the molecular formula C7H13F3N2O2 and a molecular weight of 214.19 g/mol. Its IUPAC name is 3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID106111811
Molecular FormulaC7H13F3N2O2
Molecular Weight214.19 g/mol
Exact Mass214.09
IUPAC Name3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide
SMILESCOC(CN)C(=O)N(C)CC(F)(F)F
InChIInChI=1S/C7H13F3N2O2/c1-12(4-7(8,9)10)6(13)5(3-11)14-2/h5H,3-4,11H2,1-2H3
InChIKeyGDBAKZDBKGVCIC-UHFFFAOYSA-N
XLogP-0.02
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide (CID 106111811) is 3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is COC(CN)C(=O)N(C)CC(F)(F)F.
What is the InChIKey of 3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is GDBAKZDBKGVCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3N2O2/c1-12(4-7(8,9)10)6(13)5(3-11)14-2/h5H,3-4,11H2,1-2H3.
What are the key properties of 3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 214.19 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-N-methyl-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 106111811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).