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

C20H23F3N3O3+ — CID 9286355

IUPAC[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESCOc1cccc(NC(=O)[C@H](C)[NH+](C)CC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O3/c1-13(19(28)24-14-7-6-8-15(11-14)29-3)26(2)12-18(27)25-17-10-5-4-9-16(17)20(21,22)23/h4-11,13H,12H2,1-3H3,(H,24,28)(H,25,27)/p+1/t13-/m0/s1
InChIKeyYAXAMAMVHPZXCY-ZDUSSCGKSA-O
MW410.42 g/mol
LogP2.19
Rot. Bonds7

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

[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (PubChem CID 9286355) has the molecular formula C20H23F3N3O3+ and a molecular weight of 410.42 g/mol. Its IUPAC name is [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.

Molecular Properties

Compound Name[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
PubChem CID9286355
Molecular FormulaC20H23F3N3O3+
Molecular Weight410.42 g/mol
Exact Mass410.17
IUPAC Name[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
SMILESCOc1cccc(NC(=O)[C@H](C)[NH+](C)CC(=O)Nc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C20H22F3N3O3/c1-13(19(28)24-14-7-6-8-15(11-14)29-3)26(2)12-18(27)25-17-10-5-4-9-16(17)20(21,22)23/h4-11,13H,12H2,1-3H3,(H,24,28)(H,25,27)/p+1/t13-/m0/s1
InChIKeyYAXAMAMVHPZXCY-ZDUSSCGKSA-O
XLogP2.19
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2,3-dimethylanilino)-2-oxoethyl]-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9287516
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588243
[2-(2,6-dimethylanilino)-2-oxoethyl]-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9221803
[(2R)-1-[2-[(2R)-butan-2-yl]anilino]-1-oxopropan-2-yl]-[2-(3-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9198373
[2-(3,4-dichloroanilino)-2-oxoethyl]-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methylazanium
CID 9198071
N-(3-methoxyphenyl)-N'-[2-(trifluoromethyl)phenyl]oxamide
CID 45000476
[2-(2-chloroanilino)-2-oxoethyl]-methyl-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8842574
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(3-methoxyphenyl)acetamide
CID 9030983
[2-(3-methoxyanilino)-2-oxoethyl]-methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]azanium
CID 8555304
[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592727
benzhydryl-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 2461411
methyl-[2-oxo-2-(propan-2-ylamino)ethyl]-[(2S)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8912594

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The IUPAC name of [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium (CID 9286355) is [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium.
What is the SMILES notation for [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The canonical SMILES for [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is COc1cccc(NC(=O)[C@H](C)[NH+](C)CC(=O)Nc2ccccc2C(F)(F)F)c1.
What is the InChIKey of [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
The InChIKey is YAXAMAMVHPZXCY-ZDUSSCGKSA-O. The full InChI is InChI=1S/C20H22F3N3O3/c1-13(19(28)24-14-7-6-8-15(11-14)29-3)26(2)12-18(27)25-17-10-5-4-9-16(17)20(21,22)23/h4-11,13H,12H2,1-3H3,(H,24,28)(H,25,27)/p+1/t13-/m0/s1.
What are the key properties of [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium?
[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium has a molecular weight of 410.42 g/mol, XLogP of 2.19, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium is sourced from PubChem (CID 9286355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).