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

C14H27F3N2O — CID 65269666

IUPAC3-amino-2,2,3-trimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C14H27F3N2O/c1-7-10(8-2)19(9-14(15,16)17)11(20)12(3,4)13(5,6)18/h10H,7-9,18H2,1-6H3
InChIKeyLQOXKCWIXLVBKC-UHFFFAOYSA-N
MW296.38 g/mol
LogP3.33
Rot. Bonds6

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

3-amino-2,2,3-trimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 65269666) has the molecular formula C14H27F3N2O and a molecular weight of 296.38 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID65269666
Molecular FormulaC14H27F3N2O
Molecular Weight296.38 g/mol
Exact Mass296.21
IUPAC Name3-amino-2,2,3-trimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C(C)(C)C(C)(C)N
InChIInChI=1S/C14H27F3N2O/c1-7-10(8-2)19(9-14(15,16)17)11(20)12(3,4)13(5,6)18/h10H,7-9,18H2,1-6H3
InChIKeyLQOXKCWIXLVBKC-UHFFFAOYSA-N
XLogP3.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 53.33
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-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide (CID 65269666) is 3-amino-2,2,3-trimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide is CCC(CC)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-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is LQOXKCWIXLVBKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O/c1-7-10(8-2)19(9-14(15,16)17)11(20)12(3,4)13(5,6)18/h10H,7-9,18H2,1-6H3.
What are the key properties of 3-amino-2,2,3-trimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide?
3-amino-2,2,3-trimethyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 296.38 g/mol, XLogP of 3.33, 6 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-pentan-3-yl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 65269666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).