N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide

C10H19F3N2O3 — CID 63828059

IUPACN-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCOCCNC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-8(9(16)15-3-5-17-2)14-4-6-18-7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyDMHGGWLLRJIRNQ-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.31
Rot. Bonds9

About N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide

N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (PubChem CID 63828059) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
PubChem CID63828059
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC NameN-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide
SMILESCOCCNC(=O)C(C)NCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-8(9(16)15-3-5-17-2)14-4-6-18-7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16)
InChIKeyDMHGGWLLRJIRNQ-UHFFFAOYSA-N
XLogP0.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.27
LogP ≤ 50.31
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-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide (CID 63828059) is N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is COCCNC(=O)C(C)NCCOCC(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
The InChIKey is DMHGGWLLRJIRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3/c1-8(9(16)15-3-5-17-2)14-4-6-18-7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide?
N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide has a molecular weight of 272.27 g/mol, XLogP of 0.31, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propanamide is sourced from PubChem (CID 63828059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).