2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide

C12H23F3N2O — CID 54871918

IUPAC2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)CC(N)C(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-8(2)5-10(16)11(18)17(6-9(3)4)7-12(13,14)15/h8-10H,5-7,16H2,1-4H3
InChIKeyYDSXOLMZGWTJSE-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.41
Rot. Bonds6

About 2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide

2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide (PubChem CID 54871918) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide.

Molecular Properties

Compound Name2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
PubChem CID54871918
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide
SMILESCC(C)CC(N)C(=O)N(CC(C)C)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O/c1-8(2)5-10(16)11(18)17(6-9(3)4)7-12(13,14)15/h8-10H,5-7,16H2,1-4H3
InChIKeyYDSXOLMZGWTJSE-UHFFFAOYSA-N
XLogP2.41
TPSA46.33 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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The IUPAC name of 2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide (CID 54871918) is 2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide.
What is the SMILES notation for 2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The canonical SMILES for 2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide is CC(C)CC(N)C(=O)N(CC(C)C)CC(F)(F)F.
What is the InChIKey of 2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
The InChIKey is YDSXOLMZGWTJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-8(2)5-10(16)11(18)17(6-9(3)4)7-12(13,14)15/h8-10H,5-7,16H2,1-4H3.
What are the key properties of 2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide?
2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide has a molecular weight of 268.32 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)pentanamide is sourced from PubChem (CID 54871918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).