(3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide

C50H90F6N8O8 — CID 161234197

About (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide

(3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide (PubChem CID 161234197) has the molecular formula C50H90F6N8O8 and a molecular weight of 1045.31 g/mol. Its IUPAC name is (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide.

Molecular Properties

• Compound Name: (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide
• PubChem CID: 161234197
• Molecular Formula: C50H90F6N8O8
• Molecular Weight: 1045.31 g/mol
• Exact Mass: 1044.68
• IUPAC Name: (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide
• SMILES: CCCC(NC(C)(C)C)C(=O)C(=O)NCC(F)(F)F.CCC[C@H](NC(C)(C)C)C(=O)C(=O)NCC(F)(F)F.CNC(=O)C(=O)C(CC1CCC1)NC(C)(C)C.CNC(=O)C(=O)[C@H](CC1CCC1)NC(C)(C)C
• InChI: InChI=1S/2C13H24N2O2.2C12H21F3N2O2/c2*1-13(2,3)15-10(8-9-6-5-7-9)11(16)12(17)14-4;2*1-5-6-8(17-11(2,3)4)9(18)10(19)16-7-12(13,14)15/h2*9-10,15H,5-8H2,1-4H3,(H,14,17);2*8,17H,5-7H2,1-4H3,(H,16,19)/t10-;;8-;/m0.0./s1
• InChIKey: UZDPQHCKWDQKOM-WNZMGIFHSA-N
• XLogP: 6.08
• TPSA: 232.80 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 12
• Rotatable Bonds: 22
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1045.31
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide?

The IUPAC name of (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide (CID 161234197) is (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide.

What is the SMILES notation for (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide?

The canonical SMILES for (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide is CCCC(NC(C)(C)C)C(=O)C(=O)NCC(F)(F)F.CCC[C@H](NC(C)(C)C)C(=O)C(=O)NCC(F)(F)F.CNC(=O)C(=O)C(CC1CCC1)NC(C)(C)C.CNC(=O)C(=O)[C@H](CC1CCC1)NC(C)(C)C.

What is the InChIKey of (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide?

The InChIKey is UZDPQHCKWDQKOM-WNZMGIFHSA-N. The full InChI is InChI=1S/2C13H24N2O2.2C12H21F3N2O2/c2*1-13(2,3)15-10(8-9-6-5-7-9)11(16)12(17)14-4;2*1-5-6-8(17-11(2,3)4)9(18)10(19)16-7-12(13,14)15/h2*9-10,15H,5-8H2,1-4H3,(H,14,17);2*8,17H,5-7H2,1-4H3,(H,16,19)/t10-;;8-;/m0.0./s1.

What are the key properties of (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide?

(3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide has a molecular weight of 1045.31 g/mol, XLogP of 6.08, 22 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-4-cyclobutyl-N-methyl-2-oxobutanamide;3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide;(3S)-3-(tert-butylamino)-2-oxo-N-(2,2,2-trifluoroethyl)hexanamide is sourced from PubChem (CID 161234197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).