2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide

C12H21F3N2O2 — CID 23454158

IUPAC2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide
SMILESCCCCCC(C)(C)NC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-4-5-6-7-11(2,3)17-9(18)8-16-10(19)12(13,14)15/h4-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYRLUDSXDJLUNSX-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.14
Rot. Bonds7

About 2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide

2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide (PubChem CID 23454158) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide
PubChem CID23454158
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide
SMILESCCCCCC(C)(C)NC(=O)CNC(=O)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-4-5-6-7-11(2,3)17-9(18)8-16-10(19)12(13,14)15/h4-8H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyYRLUDSXDJLUNSX-UHFFFAOYSA-N
XLogP2.14
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide (CID 23454158) is 2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide is CCCCCC(C)(C)NC(=O)CNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide?
The InChIKey is YRLUDSXDJLUNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-4-5-6-7-11(2,3)17-9(18)8-16-10(19)12(13,14)15/h4-8H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide?
2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide has a molecular weight of 282.31 g/mol, XLogP of 2.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-methylheptan-2-ylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 23454158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).