2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C14H26F3N5O2 — CID 111500281

IUPAC2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)NCCN1CCOCC1
InChIInChI=1S/C14H26F3N5O2/c1-3-18-13(19-4-5-22-6-8-24-9-7-22)20-10-12(23)21(2)11-14(15,16)17/h3-11H2,1-2H3,(H2,18,19,20)
InChIKeyVZTUHWWYPHADDT-UHFFFAOYSA-N
MW353.39 g/mol
LogP-0.11
Rot. Bonds7

About 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111500281) has the molecular formula C14H26F3N5O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111500281
Molecular FormulaC14H26F3N5O2
Molecular Weight353.39 g/mol
Exact Mass353.20
IUPAC Name2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)NCCN1CCOCC1
InChIInChI=1S/C14H26F3N5O2/c1-3-18-13(19-4-5-22-6-8-24-9-7-22)20-10-12(23)21(2)11-14(15,16)17/h3-11H2,1-2H3,(H2,18,19,20)
InChIKeyVZTUHWWYPHADDT-UHFFFAOYSA-N
XLogP-0.11
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[ethylamino-(2-piperidin-1-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111501701
2-[bis(ethylamino)methylideneamino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111464963
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111187528
tert-butyl 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]acetate
CID 111781936
2-[[[2-[di(propan-2-yl)amino]ethylamino]-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111500578
2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]-N-propylacetamide
CID 110972655
N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide
CID 110972315
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111495614
2-[[(4-ethoxybutylamino)-(2-morpholin-4-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111777793
N-tert-butyl-2-[[ethylamino-(3-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 110972314
2-[[ethylamino-[3-(2-methoxyethoxy)propylamino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111501631
2-[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide;hydroiodide
CID 111500546

Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111500281) is 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCN/C(=N\CC(=O)N(C)CC(F)(F)F)NCCN1CCOCC1.
What is the InChIKey of 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VZTUHWWYPHADDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N5O2/c1-3-18-13(19-4-5-22-6-8-24-9-7-22)20-10-12(23)21(2)11-14(15,16)17/h3-11H2,1-2H3,(H2,18,19,20).
What are the key properties of 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 353.39 g/mol, XLogP of -0.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-(2-morpholin-4-ylethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111500281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).