2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

C9H17F3N2O — CID 60948007

IUPAC2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNCC(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(2)5-14(6-9(10,11)12)8(15)4-13-3/h7,13H,4-6H2,1-3H3
InChIKeyNMAKNNOFMUQGTG-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.25
Rot. Bonds5

About 2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 60948007) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID60948007
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCNCC(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-7(2)5-14(6-9(10,11)12)8(15)4-13-3/h7,13H,4-6H2,1-3H3
InChIKeyNMAKNNOFMUQGTG-UHFFFAOYSA-N
XLogP1.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 60948007) is 2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CNCC(=O)N(CC(C)C)CC(F)(F)F.
What is the InChIKey of 2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NMAKNNOFMUQGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-7(2)5-14(6-9(10,11)12)8(15)4-13-3/h7,13H,4-6H2,1-3H3.
What are the key properties of 2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 226.24 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 60948007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).