[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

C20H24F3N2O2+ — CID 8595557

IUPAC[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESCOc1ccc(CNC(=O)[C@H](C)[NH+](C)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3N2O2/c1-14(19(26)24-12-15-6-10-18(27-3)11-7-15)25(2)13-16-4-8-17(9-5-16)20(21,22)23/h4-11,14H,12-13H2,1-3H3,(H,24,26)/p+1/t14-/m0/s1
InChIKeyFUJKMQJUKFXUBH-AWEZNQCLSA-O
MW381.42 g/mol
LogP2.43
Rot. Bonds7

About [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium

[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium (PubChem CID 8595557) has the molecular formula C20H24F3N2O2+ and a molecular weight of 381.42 g/mol. Its IUPAC name is [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium.

Molecular Properties

Compound Name[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
PubChem CID8595557
Molecular FormulaC20H24F3N2O2+
Molecular Weight381.42 g/mol
Exact Mass381.18
IUPAC Name[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESCOc1ccc(CNC(=O)[C@H](C)[NH+](C)Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H23F3N2O2/c1-14(19(26)24-12-15-6-10-18(27-3)11-7-15)25(2)13-16-4-8-17(9-5-16)20(21,22)23/h4-11,14H,12-13H2,1-3H3,(H,24,26)/p+1/t14-/m0/s1
InChIKeyFUJKMQJUKFXUBH-AWEZNQCLSA-O
XLogP2.43
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium with MolForge

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Related Compounds

[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[(4-methylsulfanylphenyl)methyl]azanium
CID 8594713
(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 8595558
[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595573
(5-bromo-2-methoxyphenyl)methyl-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methylazanium
CID 8810489
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl]-[(4-methoxyphenyl)methyl]-methylazanium
CID 8793180
2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55504113
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
[(2S)-1-(benzylamino)-1-oxopropan-2-yl]-methyl-[[4-(methylcarbamoyl)phenyl]methyl]azanium
CID 9123412
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
4-[(4-methoxyphenyl)methylamino]-3-methyl-4-oxobutanoic acid
CID 85397704
(4-methoxyphenyl)methyl-methyl-[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]azanium
CID 9265127
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The IUPAC name of [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium (CID 8595557) is [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium.
What is the SMILES notation for [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The canonical SMILES for [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium is COc1ccc(CNC(=O)[C@H](C)[NH+](C)Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
The InChIKey is FUJKMQJUKFXUBH-AWEZNQCLSA-O. The full InChI is InChI=1S/C20H23F3N2O2/c1-14(19(26)24-12-15-6-10-18(27-3)11-7-15)25(2)13-16-4-8-17(9-5-16)20(21,22)23/h4-11,14H,12-13H2,1-3H3,(H,24,26)/p+1/t14-/m0/s1.
What are the key properties of [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium?
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium has a molecular weight of 381.42 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium is sourced from PubChem (CID 8595557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).