N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide

C10H19F3N2O3 — CID 55259723

IUPACN-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
SMILESCOCCCNC(=O)CNCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-17-5-2-3-15-9(16)7-14-4-6-18-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16)
InChIKeyOJJXEZAPFJIZQV-UHFFFAOYSA-N
MW272.27 g/mol
LogP0.31
Rot. Bonds10

About N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide

N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide (PubChem CID 55259723) has the molecular formula C10H19F3N2O3 and a molecular weight of 272.27 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
PubChem CID55259723
Molecular FormulaC10H19F3N2O3
Molecular Weight272.27 g/mol
Exact Mass272.13
IUPAC NameN-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
SMILESCOCCCNC(=O)CNCCOCC(F)(F)F
InChIInChI=1S/C10H19F3N2O3/c1-17-5-2-3-15-9(16)7-14-4-6-18-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16)
InChIKeyOJJXEZAPFJIZQV-UHFFFAOYSA-N
XLogP0.31
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
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-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide (CID 55259723) is N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide is COCCCNC(=O)CNCCOCC(F)(F)F.
What is the InChIKey of N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
The InChIKey is OJJXEZAPFJIZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O3/c1-17-5-2-3-15-9(16)7-14-4-6-18-8-10(11,12)13/h14H,2-8H2,1H3,(H,15,16).
What are the key properties of N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide has a molecular weight of 272.27 g/mol, XLogP of 0.31, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide is sourced from PubChem (CID 55259723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).