3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C12H21F3N2O3 — CID 64890960

IUPAC3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C12H21F3N2O3/c1-2-19-6-3-5-17(8-12(13,14)15)10(18)11(16)4-7-20-9-11/h2-9,16H2,1H3
InChIKeyZUCBHUPNJXLVGU-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.92
Rot. Bonds7

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

3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 64890960) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID64890960
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C12H21F3N2O3/c1-2-19-6-3-5-17(8-12(13,14)15)10(18)11(16)4-7-20-9-11/h2-9,16H2,1H3
InChIKeyZUCBHUPNJXLVGU-UHFFFAOYSA-N
XLogP0.92
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 50.92
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 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 64890960) is 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is ZUCBHUPNJXLVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-2-19-6-3-5-17(8-12(13,14)15)10(18)11(16)4-7-20-9-11/h2-9,16H2,1H3.
What are the key properties of 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 0.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 64890960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).