2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide

C20H26F3IN4O — CID 111501072

IUPAC2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)NC(C)c1cccc2ccccc12.I
InChIInChI=1S/C20H25F3N4O.HI/c1-4-24-19(25-12-18(28)27(3)13-20(21,22)23)26-14(2)16-11-7-9-15-8-5-6-10-17(15)16;/h5-11,14H,4,12-13H2,1-3H3,(H2,24,25,26);1H
InChIKeyUCYZYYVBNTVYOX-UHFFFAOYSA-N
MW522.35 g/mol
LogP4.09
Rot. Bonds6

About 2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide

2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide (PubChem CID 111501072) has the molecular formula C20H26F3IN4O and a molecular weight of 522.35 g/mol. Its IUPAC name is 2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide.

Molecular Properties

Compound Name2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
PubChem CID111501072
Molecular FormulaC20H26F3IN4O
Molecular Weight522.35 g/mol
Exact Mass522.11
IUPAC Name2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)NC(C)c1cccc2ccccc12.I
InChIInChI=1S/C20H25F3N4O.HI/c1-4-24-19(25-12-18(28)27(3)13-20(21,22)23)26-14(2)16-11-7-9-15-8-5-6-10-17(15)16;/h5-11,14H,4,12-13H2,1-3H3,(H2,24,25,26);1H
InChIKeyUCYZYYVBNTVYOX-UHFFFAOYSA-N
XLogP4.09
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.35
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[bis(ethylamino)methylideneamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111464963
2-[[(butan-2-ylamino)-(1-naphthalen-1-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110038035
N-[2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]ethyl]-4-hydroxybenzamide;hydroiodide
CID 111330303
1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-(1-naphthalen-1-ylethyl)guanidine;hydroiodide
CID 111516266
2-[[[2-[di(propan-2-yl)amino]ethylamino]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111500578
2-[[ethylamino-[2-(3-fluorophenyl)ethylamino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111501577
2-[[ethylamino-[2-(3-fluorophenoxy)butylamino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109475634
2-[[[(1-benzylpiperidin-4-yl)amino]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111495509
1-ethyl-3-(1-naphthalen-1-ylethyl)-2-[4-(1,2,4-triazol-4-yl)butyl]guanidine
CID 111516249
2-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-ethyl-3-(1-naphthalen-1-ylethyl)guanidine;hydroiodide
CID 109392381
2-[[[[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]amino]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 109494948
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111495614

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide?
The IUPAC name of 2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide (CID 111501072) is 2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide.
What is the SMILES notation for 2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide?
The canonical SMILES for 2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide is CCN/C(=N\CC(=O)N(C)CC(F)(F)F)NC(C)c1cccc2ccccc12.I.
What is the InChIKey of 2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide?
The InChIKey is UCYZYYVBNTVYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N4O.HI/c1-4-24-19(25-12-18(28)27(3)13-20(21,22)23)26-14(2)16-11-7-9-15-8-5-6-10-17(15)16;/h5-11,14H,4,12-13H2,1-3H3,(H2,24,25,26);1H.
What are the key properties of 2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide?
2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide has a molecular weight of 522.35 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(1-naphthalen-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide is sourced from PubChem (CID 111501072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).