2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide

C13H23F3N2O — CID 79809276

IUPAC2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(N)(CC)C(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C13H23F3N2O/c1-4-12(17,5-2)11(19)18(8-13(14,15)16)9(3)10-6-7-10/h9-10H,4-8,17H2,1-3H3
InChIKeyJJOYHDYRKYAEOV-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.69
Rot. Bonds6

About 2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide

2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide (PubChem CID 79809276) has the molecular formula C13H23F3N2O and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
PubChem CID79809276
Molecular FormulaC13H23F3N2O
Molecular Weight280.33 g/mol
Exact Mass280.18
IUPAC Name2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
SMILESCCC(N)(CC)C(=O)N(CC(F)(F)F)C(C)C1CC1
InChIInChI=1S/C13H23F3N2O/c1-4-12(17,5-2)11(19)18(8-13(14,15)16)9(3)10-6-7-10/h9-10H,4-8,17H2,1-3H3
InChIKeyJJOYHDYRKYAEOV-UHFFFAOYSA-N
XLogP2.69
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The IUPAC name of 2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide (CID 79809276) is 2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide.
What is the SMILES notation for 2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The canonical SMILES for 2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide is CCC(N)(CC)C(=O)N(CC(F)(F)F)C(C)C1CC1.
What is the InChIKey of 2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
The InChIKey is JJOYHDYRKYAEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O/c1-4-12(17,5-2)11(19)18(8-13(14,15)16)9(3)10-6-7-10/h9-10H,4-8,17H2,1-3H3.
What are the key properties of 2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide?
2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide has a molecular weight of 280.33 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-cyclopropylethyl)-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide is sourced from PubChem (CID 79809276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).