N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide

C10H16F3N3O4 — CID 177356847

IUPACN-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide
SMILESCC(=O)NCOCCN(CC(N)=O)C(=O)CC(F)(F)F
InChIInChI=1S/C10H16F3N3O4/c1-7(17)15-6-20-3-2-16(5-8(14)18)9(19)4-10(11,12)13/h2-6H2,1H3,(H2,14,18)(H,15,17)
InChIKeyJITJGGVVYQBSAX-UHFFFAOYSA-N
MW299.25 g/mol
LogP-0.64
Rot. Bonds8

About N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide

N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide (PubChem CID 177356847) has the molecular formula C10H16F3N3O4 and a molecular weight of 299.25 g/mol. Its IUPAC name is N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide
PubChem CID177356847
Molecular FormulaC10H16F3N3O4
Molecular Weight299.25 g/mol
Exact Mass299.11
IUPAC NameN-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide
SMILESCC(=O)NCOCCN(CC(N)=O)C(=O)CC(F)(F)F
InChIInChI=1S/C10H16F3N3O4/c1-7(17)15-6-20-3-2-16(5-8(14)18)9(19)4-10(11,12)13/h2-6H2,1H3,(H2,14,18)(H,15,17)
InChIKeyJITJGGVVYQBSAX-UHFFFAOYSA-N
XLogP-0.64
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide (CID 177356847) is N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide is CC(=O)NCOCCN(CC(N)=O)C(=O)CC(F)(F)F.
What is the InChIKey of N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide?
The InChIKey is JITJGGVVYQBSAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O4/c1-7(17)15-6-20-3-2-16(5-8(14)18)9(19)4-10(11,12)13/h2-6H2,1H3,(H2,14,18)(H,15,17).
What are the key properties of N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide?
N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide has a molecular weight of 299.25 g/mol, XLogP of -0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(acetamidomethoxy)ethyl]-N-(2-amino-2-oxoethyl)-3,3,3-trifluoropropanamide is sourced from PubChem (CID 177356847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).