3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide

C13H25F3N2O — CID 65269424

IUPAC3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H25F3N2O/c1-9(2)7-18(8-13(14,15)16)10(19)11(3,4)12(5,6)17/h9H,7-8,17H2,1-6H3
InChIKeyOIOZCELNNHJGFC-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.80
Rot. Bonds5

About 3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide

3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 65269424) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID65269424
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C13H25F3N2O/c1-9(2)7-18(8-13(14,15)16)10(19)11(3,4)12(5,6)17/h9H,7-8,17H2,1-6H3
InChIKeyOIOZCELNNHJGFC-UHFFFAOYSA-N
XLogP2.80
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 63374882
2-amino-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 54871893
2,2,3,3-tetrafluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103733287
2-amino-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)propanamide
CID 62488944
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 60947544
2-tert-butylsulfanyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78877747
3-amino-N-(3-ethoxypropyl)-2,2,3-trimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 65269422
2-methyl-3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 114897580
3-[2-methylpropyl(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 62230601
2-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 60779660
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61108683
2-(aminomethyl)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
CID 65227637

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide (CID 65269424) is 3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide is CC(C)CN(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)N.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is OIOZCELNNHJGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-9(2)7-18(8-13(14,15)16)10(19)11(3,4)12(5,6)17/h9H,7-8,17H2,1-6H3.
What are the key properties of 3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide?
3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 282.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 65269424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).