N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide

C10H17F3N2O2 — CID 60778774

IUPACN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCC(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-4-5-8(16)15(7-10(11,12)13)6-9(17)14(2)3/h4-7H2,1-3H3
InChIKeyVJUSUCHVVLEZAG-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.27
Rot. Bonds5

About N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide

N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 60778774) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID60778774
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCCC(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O2/c1-4-5-8(16)15(7-10(11,12)13)6-9(17)14(2)3/h4-7H2,1-3H3
InChIKeyVJUSUCHVVLEZAG-UHFFFAOYSA-N
XLogP1.27
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide (CID 60778774) is N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide is CCCC(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is VJUSUCHVVLEZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c1-4-5-8(16)15(7-10(11,12)13)6-9(17)14(2)3/h4-7H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide?
N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 254.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 60778774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).