N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide

C12H23F3N2O — CID 56788582

IUPACN-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCCCCN(CC(=O)NC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-5-6-7-17(9-12(13,14)15)8-10(18)16-11(2,3)4/h5-9H2,1-4H3,(H,16,18)
InChIKeyNBGQVPKAXYBOIC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.57
Rot. Bonds6

About N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide

N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide (PubChem CID 56788582) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide
PubChem CID56788582
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide
SMILESCCCCN(CC(=O)NC(C)(C)C)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-5-6-7-17(9-12(13,14)15)8-10(18)16-11(2,3)4/h5-9H2,1-4H3,(H,16,18)
InChIKeyNBGQVPKAXYBOIC-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide?
The IUPAC name of N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide (CID 56788582) is N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide.
What is the SMILES notation for N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide?
The canonical SMILES for N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide is CCCCN(CC(=O)NC(C)(C)C)CC(F)(F)F.
What is the InChIKey of N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide?
The InChIKey is NBGQVPKAXYBOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-5-6-7-17(9-12(13,14)15)8-10(18)16-11(2,3)4/h5-9H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide?
N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide has a molecular weight of 268.32 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[butyl(2,2,2-trifluoroethyl)amino]acetamide is sourced from PubChem (CID 56788582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).