2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C14H25F3N4O2 — CID 109383412

IUPAC2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)N(C)CC1CCOC1
InChIInChI=1S/C14H25F3N4O2/c1-4-18-13(20(2)8-11-5-6-23-9-11)19-7-12(22)21(3)10-14(15,16)17/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyVEAWJWRFAHCKKY-UHFFFAOYSA-N
MW338.37 g/mol
LogP0.94
Rot. Bonds6

About 2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 109383412) has the molecular formula C14H25F3N4O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID109383412
Molecular FormulaC14H25F3N4O2
Molecular Weight338.37 g/mol
Exact Mass338.19
IUPAC Name2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCN/C(=N\CC(=O)N(C)CC(F)(F)F)N(C)CC1CCOC1
InChIInChI=1S/C14H25F3N4O2/c1-4-18-13(20(2)8-11-5-6-23-9-11)19-7-12(22)21(3)10-14(15,16)17/h11H,4-10H2,1-3H3,(H,18,19)
InChIKeyVEAWJWRFAHCKKY-UHFFFAOYSA-N
XLogP0.94
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 109383412) is 2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CCN/C(=N\CC(=O)N(C)CC(F)(F)F)N(C)CC1CCOC1.
What is the InChIKey of 2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is VEAWJWRFAHCKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N4O2/c1-4-18-13(20(2)8-11-5-6-23-9-11)19-7-12(22)21(3)10-14(15,16)17/h11H,4-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 338.37 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 109383412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).