N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide

C12H23F3N2O4 — CID 121448783

IUPACN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide
SMILESNCCCOCCOCCOCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H23F3N2O4/c13-12(14,15)11(18)17-4-2-6-20-8-10-21-9-7-19-5-1-3-16/h1-10,16H2,(H,17,18)
InChIKeyLFOMFFILGHKCPZ-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.45
Rot. Bonds13

About N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide

N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide (PubChem CID 121448783) has the molecular formula C12H23F3N2O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide
PubChem CID121448783
Molecular FormulaC12H23F3N2O4
Molecular Weight316.32 g/mol
Exact Mass316.16
IUPAC NameN-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide
SMILESNCCCOCCOCCOCCCNC(=O)C(F)(F)F
InChIInChI=1S/C12H23F3N2O4/c13-12(14,15)11(18)17-4-2-6-20-8-10-21-9-7-19-5-1-3-16/h1-10,16H2,(H,17,18)
InChIKeyLFOMFFILGHKCPZ-UHFFFAOYSA-N
XLogP0.45
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide (CID 121448783) is N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide is NCCCOCCOCCOCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is LFOMFFILGHKCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O4/c13-12(14,15)11(18)17-4-2-6-20-8-10-21-9-7-19-5-1-3-16/h1-10,16H2,(H,17,18).
What are the key properties of N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide?
N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 316.32 g/mol, XLogP of 0.45, 13 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 121448783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).