3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide

C12H23F3N2O — CID 65269472

IUPAC3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H23F3N2O/c1-8(2)17(7-12(13,14)15)9(18)10(3,4)11(5,6)16/h8H,7,16H2,1-6H3
InChIKeyAUQVLMBIUZKGII-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.55
Rot. Bonds4

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

3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 65269472) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID65269472
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCC(C)N(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C12H23F3N2O/c1-8(2)17(7-12(13,14)15)9(18)10(3,4)11(5,6)16/h8H,7,16H2,1-6H3
InChIKeyAUQVLMBIUZKGII-UHFFFAOYSA-N
XLogP2.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 65269472) is 3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide is CC(C)N(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-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is AUQVLMBIUZKGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-8(2)17(7-12(13,14)15)9(18)10(3,4)11(5,6)16/h8H,7,16H2,1-6H3.
What are the key properties of 3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide?
3-amino-2,2,3-trimethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 268.32 g/mol, XLogP of 2.55, 4 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-propan-2-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 65269472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).