diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium

C22H27F3N3O2+ — CID 9073334

IUPACdiethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H26F3N3O2/c1-3-28(4-2)15-18-8-6-5-7-17(18)13-26-20(29)14-27-21(30)16-9-11-19(12-10-16)22(23,24)25/h5-12H,3-4,13-15H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeyRNILPMRMZQDEKZ-UHFFFAOYSA-O
MW422.47 g/mol
LogP2.18
Rot. Bonds9

About diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium

diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium (PubChem CID 9073334) has the molecular formula C22H27F3N3O2+ and a molecular weight of 422.47 g/mol. Its IUPAC name is diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium.

Molecular Properties

Compound Namediethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium
PubChem CID9073334
Molecular FormulaC22H27F3N3O2+
Molecular Weight422.47 g/mol
Exact Mass422.20
IUPAC Namediethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium
SMILESCC[NH+](CC)Cc1ccccc1CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H26F3N3O2/c1-3-28(4-2)15-18-8-6-5-7-17(18)13-26-20(29)14-27-21(30)16-9-11-19(12-10-16)22(23,24)25/h5-12H,3-4,13-15H2,1-2H3,(H,26,29)(H,27,30)/p+1
InChIKeyRNILPMRMZQDEKZ-UHFFFAOYSA-O
XLogP2.18
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium with MolForge

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Related Compounds

[2-[[(3,4-dimethylbenzoyl)amino]methyl]phenyl]methyl-diethylazanium
CID 9073183
N-[2-(butylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 112990650
[2-[[[4-(dimethylsulfamoyl)benzoyl]amino]methyl]phenyl]methyl-diethylazanium
CID 9073364
4-fluoro-N-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]benzamide
CID 27052452
N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 112993165
N-[2-(2-methylpropylamino)-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 86976279
N-[2-[[2-[(2-phenylacetyl)amino]acetyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 55546139
N-[2-[2-(methylamino)propylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 120833138
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 26887091
N-[2-oxo-2-(2-phenylpropylamino)ethyl]-4-(trifluoromethyl)benzamide
CID 42910697
N-[[2-(ethoxymethyl)phenyl]methyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 55596990
N-[2-[2-(methylamino)ethylamino]-2-oxoethyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 119503351

Frequently Asked Questions

What is the IUPAC name of diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium?
The IUPAC name of diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium (CID 9073334) is diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium.
What is the SMILES notation for diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium?
The canonical SMILES for diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium is CC[NH+](CC)Cc1ccccc1CNC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium?
The InChIKey is RNILPMRMZQDEKZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H26F3N3O2/c1-3-28(4-2)15-18-8-6-5-7-17(18)13-26-20(29)14-27-21(30)16-9-11-19(12-10-16)22(23,24)25/h5-12H,3-4,13-15H2,1-2H3,(H,26,29)(H,27,30)/p+1.
What are the key properties of diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium?
diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium has a molecular weight of 422.47 g/mol, XLogP of 2.18, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-[[2-[[[2-[[4-(trifluoromethyl)benzoyl]amino]acetyl]amino]methyl]phenyl]methyl]azanium is sourced from PubChem (CID 9073334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).