N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

C11H20F3N3O3 — CID 78932029

IUPACN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCCCNC(=O)CN(C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c1-17(7-9(18)16-4-3-5-20-2)10(19)6-15-8-11(12,13)14/h15H,3-8H2,1-2H3,(H,16,18)
InChIKeyRZWPNXHZBJTFOZ-UHFFFAOYSA-N
MW299.29 g/mol
LogP-0.25
Rot. Bonds9

About N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide

N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78932029) has the molecular formula C11H20F3N3O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78932029
Molecular FormulaC11H20F3N3O3
Molecular Weight299.29 g/mol
Exact Mass299.15
IUPAC NameN-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCCCNC(=O)CN(C)C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H20F3N3O3/c1-17(7-9(18)16-4-3-5-20-2)10(19)6-15-8-11(12,13)14/h15H,3-8H2,1-2H3,(H,16,18)
InChIKeyRZWPNXHZBJTFOZ-UHFFFAOYSA-N
XLogP-0.25
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide (CID 78932029) is N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is COCCCNC(=O)CN(C)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is RZWPNXHZBJTFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3O3/c1-17(7-9(18)16-4-3-5-20-2)10(19)6-15-8-11(12,13)14/h15H,3-8H2,1-2H3,(H,16,18).
What are the key properties of N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide?
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 299.29 g/mol, XLogP of -0.25, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78932029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).