[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

C21H26F3N2O+ — CID 8992045

IUPAC[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESCCc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1
InChIInChI=1S/C21H25F3N2O/c1-4-15-9-11-16(12-10-15)20(14(2)3)25-13-19(27)26-18-8-6-5-7-17(18)21(22,23)24/h5-12,14,20,25H,4,13H2,1-3H3,(H,26,27)/p+1/t20-/m1/s1
InChIKeyBIQFTPUNUNMTAV-HXUWFJFHSA-O
MW379.45 g/mol
LogP4.17
Rot. Bonds7

About [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium

[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (PubChem CID 8992045) has the molecular formula C21H26F3N2O+ and a molecular weight of 379.45 g/mol. Its IUPAC name is [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.

Molecular Properties

Compound Name[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
PubChem CID8992045
Molecular FormulaC21H26F3N2O+
Molecular Weight379.45 g/mol
Exact Mass379.20
IUPAC Name[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESCCc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1
InChIInChI=1S/C21H25F3N2O/c1-4-15-9-11-16(12-10-15)20(14(2)3)25-13-19(27)26-18-8-6-5-7-17(18)21(22,23)24/h5-12,14,20,25H,4,13H2,1-3H3,(H,26,27)/p+1/t20-/m1/s1
InChIKeyBIQFTPUNUNMTAV-HXUWFJFHSA-O
XLogP4.17
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.45
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium with MolForge

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Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131816
[2-(2-bromoanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133558
[2-(4-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992030
[2-(2-acetylanilino)-2-oxoethyl]-[(1R)-1-(4-fluorophenyl)-2-methylpropyl]azanium
CID 9133680
[2-(4-carbamoylanilino)-2-oxoethyl]-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]azanium
CID 8992000
[(1S)-1-(4-ethylphenyl)-2-methylpropyl]-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]azanium
CID 8992164
[2-(2-methoxyanilino)-2-oxoethyl]-[(1R)-2-methyl-1-phenylpropyl]azanium
CID 9131715
N,4-diethyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]benzamide
CID 9095226
2-[ethyl-[(4-propan-2-ylphenyl)methyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26514549
(2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 7729755
[2-(2-fluoro-4-methylanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9132052
[2-(2,5-dichloroanilino)-2-oxoethyl]-[(1S)-2-methyl-1-phenylpropyl]azanium
CID 9131604

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The IUPAC name of [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (CID 8992045) is [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.
What is the SMILES notation for [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The canonical SMILES for [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is CCc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1.
What is the InChIKey of [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The InChIKey is BIQFTPUNUNMTAV-HXUWFJFHSA-O. The full InChI is InChI=1S/C21H25F3N2O/c1-4-15-9-11-16(12-10-15)20(14(2)3)25-13-19(27)26-18-8-6-5-7-17(18)21(22,23)24/h5-12,14,20,25H,4,13H2,1-3H3,(H,26,27)/p+1/t20-/m1/s1.
What are the key properties of [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
[(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium has a molecular weight of 379.45 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-(4-ethylphenyl)-2-methylpropyl]-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is sourced from PubChem (CID 8992045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).