2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide

C10H19F3N2O2 — CID 79805494

IUPAC2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide
SMILESCCN(C(=O)C(C)(N)C(F)(F)F)C(C)COC
InChIInChI=1S/C10H19F3N2O2/c1-5-15(7(2)6-17-4)8(16)9(3,14)10(11,12)13/h7H,5-6,14H2,1-4H3
InChIKeyHLXSLIRJMYCSJG-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.15
Rot. Bonds5

About 2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide

2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide (PubChem CID 79805494) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide
PubChem CID79805494
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide
SMILESCCN(C(=O)C(C)(N)C(F)(F)F)C(C)COC
InChIInChI=1S/C10H19F3N2O2/c1-5-15(7(2)6-17-4)8(16)9(3,14)10(11,12)13/h7H,5-6,14H2,1-4H3
InChIKeyHLXSLIRJMYCSJG-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide?
The IUPAC name of 2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide (CID 79805494) is 2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide?
The canonical SMILES for 2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide is CCN(C(=O)C(C)(N)C(F)(F)F)C(C)COC.
What is the InChIKey of 2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide?
The InChIKey is HLXSLIRJMYCSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-5-15(7(2)6-17-4)8(16)9(3,14)10(11,12)13/h7H,5-6,14H2,1-4H3.
What are the key properties of 2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide?
2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide has a molecular weight of 256.27 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethyl-3,3,3-trifluoro-N-(1-methoxypropan-2-yl)-2-methylpropanamide is sourced from PubChem (CID 79805494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).