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

C12H21F3N2O3 — CID 66241451

IUPAC4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C12H21F3N2O3/c1-2-19-5-3-4-17(8-12(13,14)15)11(18)9-6-20-7-10(9)16/h9-10H,2-8,16H2,1H3
InChIKeyMGMAEGZUFCPZCO-UHFFFAOYSA-N
MW298.31 g/mol
LogP0.78
Rot. Bonds7

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

4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66241451) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66241451
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC Name4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1COCC1N
InChIInChI=1S/C12H21F3N2O3/c1-2-19-5-3-4-17(8-12(13,14)15)11(18)9-6-20-7-10(9)16/h9-10H,2-8,16H2,1H3
InChIKeyMGMAEGZUFCPZCO-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
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)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66241451) is 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)C1COCC1N.
What is the InChIKey of 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is MGMAEGZUFCPZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O3/c1-2-19-5-3-4-17(8-12(13,14)15)11(18)9-6-20-7-10(9)16/h9-10H,2-8,16H2,1H3.
What are the key properties of 4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
4-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 0.78, 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)oxolane-3-carboxamide is sourced from PubChem (CID 66241451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).