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

C13H23F3N2O3 — CID 66249860

IUPAC4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1(C)COCC1N
InChIInChI=1S/C13H23F3N2O3/c1-3-20-6-4-5-18(8-13(14,15)16)11(19)12(2)9-21-7-10(12)17/h10H,3-9,17H2,1-2H3
InChIKeyJCCZFKSJMMJDGQ-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.17
Rot. Bonds7

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

4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66249860) has the molecular formula C13H23F3N2O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66249860
Molecular FormulaC13H23F3N2O3
Molecular Weight312.33 g/mol
Exact Mass312.17
IUPAC Name4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCOCCCN(CC(F)(F)F)C(=O)C1(C)COCC1N
InChIInChI=1S/C13H23F3N2O3/c1-3-20-6-4-5-18(8-13(14,15)16)11(19)12(2)9-21-7-10(12)17/h10H,3-9,17H2,1-2H3
InChIKeyJCCZFKSJMMJDGQ-UHFFFAOYSA-N
XLogP1.17
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 ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66249860) is 4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CCOCCCN(CC(F)(F)F)C(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is JCCZFKSJMMJDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O3/c1-3-20-6-4-5-18(8-13(14,15)16)11(19)12(2)9-21-7-10(12)17/h10H,3-9,17H2,1-2H3.
What are the key properties of 4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
4-amino-N-(3-ethoxypropyl)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.17, 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)-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66249860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).