N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid

C11H19F3N2O5 — CID 178201502

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid
SMILESC=CC(=O)NCCOCCOCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O3.C2HF3O2/c1-2-9(12)11-4-6-14-8-7-13-5-3-10;3-2(4,5)1(6)7/h2H,1,3-8,10H2,(H,11,12);(H,6,7)
InChIKeyIHCRSJYFNGJEBA-UHFFFAOYSA-N
MW316.28 g/mol
LogP-0.09
Rot. Bonds9

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid (PubChem CID 178201502) has the molecular formula C11H19F3N2O5 and a molecular weight of 316.28 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid
PubChem CID178201502
Molecular FormulaC11H19F3N2O5
Molecular Weight316.28 g/mol
Exact Mass316.12
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid
SMILESC=CC(=O)NCCOCCOCCN.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O3.C2HF3O2/c1-2-9(12)11-4-6-14-8-7-13-5-3-10;3-2(4,5)1(6)7/h2H,1,3-8,10H2,(H,11,12);(H,6,7)
InChIKeyIHCRSJYFNGJEBA-UHFFFAOYSA-N
XLogP-0.09
TPSA110.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid (CID 178201502) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid is C=CC(=O)NCCOCCOCCN.O=C(O)C(F)(F)F.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid?
The InChIKey is IHCRSJYFNGJEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3.C2HF3O2/c1-2-9(12)11-4-6-14-8-7-13-5-3-10;3-2(4,5)1(6)7/h2H,1,3-8,10H2,(H,11,12);(H,6,7).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid has a molecular weight of 316.28 g/mol, XLogP of -0.09, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]prop-2-enamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 178201502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).