methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium

C16H23F3N3O2+ — CID 8912594

IUPACmethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
SMILESCC(C)NC(=O)C[NH+](C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N3O2/c1-10(2)20-14(23)9-22(4)11(3)15(24)21-13-7-5-6-12(8-13)16(17,18)19/h5-8,10-11H,9H2,1-4H3,(H,20,23)(H,21,24)/p+1/t11-/m0/s1
InChIKeyFDCZVKMBMQZWMP-NSHDSACASA-O
MW346.37 g/mol
LogP1.07
Rot. Bonds6

About methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium

methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium (PubChem CID 8912594) has the molecular formula C16H23F3N3O2+ and a molecular weight of 346.37 g/mol. Its IUPAC name is methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
PubChem CID8912594
Molecular FormulaC16H23F3N3O2+
Molecular Weight346.37 g/mol
Exact Mass346.17
IUPAC Namemethyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
SMILESCC(C)NC(=O)C[NH+](C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H22F3N3O2/c1-10(2)20-14(23)9-22(4)11(3)15(24)21-13-7-5-6-12(8-13)16(17,18)19/h5-8,10-11H,9H2,1-4H3,(H,20,23)(H,21,24)/p+1/t11-/m0/s1
InChIKeyFDCZVKMBMQZWMP-NSHDSACASA-O
XLogP1.07
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium with MolForge

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8756789
[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
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8906928
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8767336
1,3-benzothiazol-2-ylmethyl-methyl-[(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8801731
2,2-dimethyl-N-propan-2-yl-N'-[3-(trifluoromethyl)phenyl]propanediamide
CID 108957311
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
6-N-propan-2-yl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,6-dicarboxamide
CID 109093750
2-[acetyl(propan-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113158239

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium?
The IUPAC name of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium (CID 8912594) is methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium?
The canonical SMILES for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium is CC(C)NC(=O)C[NH+](C)[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium?
The InChIKey is FDCZVKMBMQZWMP-NSHDSACASA-O. The full InChI is InChI=1S/C16H22F3N3O2/c1-10(2)20-14(23)9-22(4)11(3)15(24)21-13-7-5-6-12(8-13)16(17,18)19/h5-8,10-11H,9H2,1-4H3,(H,20,23)(H,21,24)/p+1/t11-/m0/s1.
What are the key properties of methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium?
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium has a molecular weight of 346.37 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium is sourced from PubChem (CID 8912594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).