2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide

C9H17F3N2O — CID 79796969

IUPAC2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide
SMILESCCCN(CC)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-4-6-14(5-2)7(15)8(3,13)9(10,11)12/h4-6,13H2,1-3H3
InChIKeyUUEHMGMTSVPFRS-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.52
Rot. Bonds4

About 2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide

2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide (PubChem CID 79796969) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide
PubChem CID79796969
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide
SMILESCCCN(CC)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-4-6-14(5-2)7(15)8(3,13)9(10,11)12/h4-6,13H2,1-3H3
InChIKeyUUEHMGMTSVPFRS-UHFFFAOYSA-N
XLogP1.52
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide?
The IUPAC name of 2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide (CID 79796969) is 2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide.
What is the SMILES notation for 2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide?
The canonical SMILES for 2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide is CCCN(CC)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide?
The InChIKey is UUEHMGMTSVPFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-4-6-14(5-2)7(15)8(3,13)9(10,11)12/h4-6,13H2,1-3H3.
What are the key properties of 2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide?
2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide has a molecular weight of 226.24 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3,3,3-trifluoro-2-methyl-N-propylpropanamide is sourced from PubChem (CID 79796969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).