2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide

C8H14F3N3O2 — CID 79797429

IUPAC2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCNC(=O)CN(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-7(12,8(9,10)11)6(16)14(3)4-5(15)13-2/h4,12H2,1-3H3,(H,13,15)
InChIKeyXPFIRSUXHNUJMY-UHFFFAOYSA-N
MW241.21 g/mol
LogP-0.53
Rot. Bonds3

About 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide

2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide (PubChem CID 79797429) has the molecular formula C8H14F3N3O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
PubChem CID79797429
Molecular FormulaC8H14F3N3O2
Molecular Weight241.21 g/mol
Exact Mass241.10
IUPAC Name2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide
SMILESCNC(=O)CN(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C8H14F3N3O2/c1-7(12,8(9,10)11)6(16)14(3)4-5(15)13-2/h4,12H2,1-3H3,(H,13,15)
InChIKeyXPFIRSUXHNUJMY-UHFFFAOYSA-N
XLogP-0.53
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide (CID 79797429) is 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide is CNC(=O)CN(C)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide?
The InChIKey is XPFIRSUXHNUJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N3O2/c1-7(12,8(9,10)11)6(16)14(3)4-5(15)13-2/h4,12H2,1-3H3,(H,13,15).
What are the key properties of 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide?
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide has a molecular weight of 241.21 g/mol, XLogP of -0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[2-(methylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 79797429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).