4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide

C13H23F3N2O3 — CID 115294295

IUPAC4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C13H23F3N2O3/c1-2-20-7-3-6-18(10-13(14,15)16)11(19)12(17)4-8-21-9-5-12/h2-10,17H2,1H3
InChIKeyJJQSYWUEUHJBDT-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.31
Rot. Bonds7

About 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide

4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (PubChem CID 115294295) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
PubChem CID115294295
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C13H23F3N2O3/c1-2-20-7-3-6-18(10-13(14,15)16)11(19)12(17)4-8-21-9-5-12/h2-10,17H2,1H3
InChIKeyJJQSYWUEUHJBDT-UHFFFAOYSA-N
XLogP1.31
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.31
H-Bond Donors ≤ 51
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 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (CID 115294295) is 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The InChIKey is JJQSYWUEUHJBDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-2-20-7-3-6-18(10-13(14,15)16)11(19)12(17)4-8-21-9-5-12/h2-10,17H2,1H3.
What are the key properties of 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is sourced from PubChem (CID 115294295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).