N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide

C12H23F3N2O2 — CID 86994664

IUPACN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)CC(CN(C)C)NC(=O)COCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-9(2)5-10(6-17(3)4)16-11(18)7-19-8-12(13,14)15/h9-10H,5-8H2,1-4H3,(H,16,18)
InChIKeyVJRBWWTWRJZKMN-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.66
Rot. Bonds8

About N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 86994664) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID86994664
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC NameN-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCC(C)CC(CN(C)C)NC(=O)COCC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-9(2)5-10(6-17(3)4)16-11(18)7-19-8-12(13,14)15/h9-10H,5-8H2,1-4H3,(H,16,18)
InChIKeyVJRBWWTWRJZKMN-UHFFFAOYSA-N
XLogP1.66
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 86994664) is N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide is CC(C)CC(CN(C)C)NC(=O)COCC(F)(F)F.
What is the InChIKey of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is VJRBWWTWRJZKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-9(2)5-10(6-17(3)4)16-11(18)7-19-8-12(13,14)15/h9-10H,5-8H2,1-4H3,(H,16,18).
What are the key properties of N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 284.32 g/mol, XLogP of 1.66, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 86994664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).