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

C12H21F3N2O2 — CID 66249074

IUPAC4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(C)COCC1N
InChIInChI=1S/C12H21F3N2O2/c1-3-4-5-17(7-12(13,14)15)10(18)11(2)8-19-6-9(11)16/h9H,3-8,16H2,1-2H3
InChIKeyGLBQWJLTKJUNGM-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.54
Rot. Bonds5

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

4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66249074) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66249074
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCCCN(CC(F)(F)F)C(=O)C1(C)COCC1N
InChIInChI=1S/C12H21F3N2O2/c1-3-4-5-17(7-12(13,14)15)10(18)11(2)8-19-6-9(11)16/h9H,3-8,16H2,1-2H3
InChIKeyGLBQWJLTKJUNGM-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64890960
3-amino-N-propan-2-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64891355
3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64892150
3-amino-N-butyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64893367
3-amino-N-propyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 64893368
4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66235226
(4-Aminooxolan-3-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 66235254
4-amino-N-methyl-N-(3,3,3-trifluoropropyl)oxolane-3-carboxamide
CID 66235494
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66235631
4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolane-3-carboxamide
CID 66235683
(4-Aminooxolan-3-yl)-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 66235694
4-amino-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66235841

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66249074) is 4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CCCCN(CC(F)(F)F)C(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is GLBQWJLTKJUNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-4-5-17(7-12(13,14)15)10(18)11(2)8-19-6-9(11)16/h9H,3-8,16H2,1-2H3.
What are the key properties of 4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66249074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).