[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium

C17H25F3N3O2+ — CID 8756789

IUPAC[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
SMILESC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H24F3N3O2/c1-11(23(5)10-14(24)22-16(2,3)4)15(25)21-13-8-6-7-12(9-13)17(18,19)20/h6-9,11H,10H2,1-5H3,(H,21,25)(H,22,24)/p+1/t11-/m0/s1
InChIKeyCUMWTCGGFKCMJZ-NSHDSACASA-O
MW360.40 g/mol
LogP1.46
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium (PubChem CID 8756789) has the molecular formula C17H25F3N3O2+ and a molecular weight of 360.40 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
PubChem CID8756789
Molecular FormulaC17H25F3N3O2+
Molecular Weight360.40 g/mol
Exact Mass360.19
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
SMILESC[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H24F3N3O2/c1-11(23(5)10-14(24)22-16(2,3)4)15(25)21-13-8-6-7-12(9-13)17(18,19)20/h6-9,11H,10H2,1-5H3,(H,21,25)(H,22,24)/p+1/t11-/m0/s1
InChIKeyCUMWTCGGFKCMJZ-NSHDSACASA-O
XLogP1.46
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium with MolForge

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Related Compounds

methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8912594
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8767336
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8842574
2-methyl-3-sulfanyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 167244697
2-acetamido-N-[3-(trifluoromethyl)phenyl]propanamide
CID 78776683
1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8801731
3-(ethylamino)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 62853406
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9286355
2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239
(2S)-2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]butanamide
CID 22690700
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
CID 8767219
2-amino-3-methyl-N-[3-(trifluoromethyl)phenyl]pentanamide
CID 24706834

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium (CID 8756789) is [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium is C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[NH+](C)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium?
The InChIKey is CUMWTCGGFKCMJZ-NSHDSACASA-O. The full InChI is InChI=1S/C17H24F3N3O2/c1-11(23(5)10-14(24)22-16(2,3)4)15(25)21-13-8-6-7-12(9-13)17(18,19)20/h6-9,11H,10H2,1-5H3,(H,21,25)(H,22,24)/p+1/t11-/m0/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium has a molecular weight of 360.40 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium is sourced from PubChem (CID 8756789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).