methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium

C16H21F3N3O3+ — CID 8550006

IUPACmethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
SMILESC[NH+](CC(=O)NC[C@H]1CCCO1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H20F3N3O3/c1-22(8-13(23)20-7-10-3-2-6-25-10)9-14(24)21-12-5-4-11(17)15(18)16(12)19/h4-5,10H,2-3,6-9H2,1H3,(H,20,23)(H,21,24)/p+1/t10-/m1/s1
InChIKeyLXMMWRQCSQXFKF-SNVBAGLBSA-O
MW360.36 g/mol
LogP-0.15
Rot. Bonds7

About methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium

methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium (PubChem CID 8550006) has the molecular formula C16H21F3N3O3+ and a molecular weight of 360.36 g/mol. Its IUPAC name is methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
PubChem CID8550006
Molecular FormulaC16H21F3N3O3+
Molecular Weight360.36 g/mol
Exact Mass360.15
IUPAC Namemethyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
SMILESC[NH+](CC(=O)NC[C@H]1CCCO1)CC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H20F3N3O3/c1-22(8-13(23)20-7-10-3-2-6-25-10)9-14(24)21-12-5-4-11(17)15(18)16(12)19/h4-5,10H,2-3,6-9H2,1H3,(H,20,23)(H,21,24)/p+1/t10-/m1/s1
InChIKeyLXMMWRQCSQXFKF-SNVBAGLBSA-O
XLogP-0.15
TPSA71.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

methyl-[[(2R)-oxan-2-yl]methyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197476
1-N-(oxolan-2-ylmethyl)-4-N-(2,3,4-trifluorophenyl)benzene-1,4-dicarboxamide
CID 109045697
2-[[amino-(oxolan-2-ylmethylamino)methylidene]amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110913513
3-[acetyl(oxolan-2-ylmethyl)amino]-N-(2,3,4-trifluorophenyl)propanamide
CID 113117440
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197762
methyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197874
1-ethyl-1-[[(2S)-oxolan-2-yl]methyl]-3-(2,3,4-trifluorophenyl)urea
CID 95258347
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 2657991
N'-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)propanediamide
CID 108943767
[2-(3,4-difluoroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 9197775
methyl-[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 8551314
1-(4-chloro-2-fluorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 28946591

Frequently Asked Questions

What is the IUPAC name of methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium?
The IUPAC name of methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium (CID 8550006) is methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium.
What is the SMILES notation for methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium?
The canonical SMILES for methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium is C[NH+](CC(=O)NC[C@H]1CCCO1)CC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium?
The InChIKey is LXMMWRQCSQXFKF-SNVBAGLBSA-O. The full InChI is InChI=1S/C16H20F3N3O3/c1-22(8-13(23)20-7-10-3-2-6-25-10)9-14(24)21-12-5-4-11(17)15(18)16(12)19/h4-5,10H,2-3,6-9H2,1H3,(H,20,23)(H,21,24)/p+1/t10-/m1/s1.
What are the key properties of methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium?
methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium has a molecular weight of 360.36 g/mol, XLogP of -0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl]-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium is sourced from PubChem (CID 8550006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).