N-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide

C9H17F3N2O2 — CID 63891849

IUPACN-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide
SMILESCNC(=O)CCCNCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-13-8(15)3-2-4-14-5-6-16-7-9(10,11)12/h14H,2-7H2,1H3,(H,13,15)
InChIKeyABPYWOWJNNUXBN-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.68
Rot. Bonds8

About N-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide

N-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide (PubChem CID 63891849) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is N-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide.

Molecular Properties

Compound NameN-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide
PubChem CID63891849
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC NameN-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide
SMILESCNC(=O)CCCNCCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c1-13-8(15)3-2-4-14-5-6-16-7-9(10,11)12/h14H,2-7H2,1H3,(H,13,15)
InChIKeyABPYWOWJNNUXBN-UHFFFAOYSA-N
XLogP0.68
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide?
The IUPAC name of N-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide (CID 63891849) is N-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide.
What is the SMILES notation for N-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide?
The canonical SMILES for N-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide is CNC(=O)CCCNCCOCC(F)(F)F.
What is the InChIKey of N-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide?
The InChIKey is ABPYWOWJNNUXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c1-13-8(15)3-2-4-14-5-6-16-7-9(10,11)12/h14H,2-7H2,1H3,(H,13,15).
What are the key properties of N-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide?
N-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide has a molecular weight of 242.24 g/mol, XLogP of 0.68, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butanamide is sourced from PubChem (CID 63891849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).