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

C13H23F3N2O2 — CID 66250835

IUPAC4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1(C)COCC1N
InChIInChI=1S/C13H23F3N2O2/c1-4-9(5-2)18(7-13(14,15)16)11(19)12(3)8-20-6-10(12)17/h9-10H,4-8,17H2,1-3H3
InChIKeyCQIIBRHOXAEAKR-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.93
Rot. Bonds5

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

4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66250835) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66250835
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1(C)COCC1N
InChIInChI=1S/C13H23F3N2O2/c1-4-9(5-2)18(7-13(14,15)16)11(19)12(3)8-20-6-10(12)17/h9-10H,4-8,17H2,1-3H3
InChIKeyCQIIBRHOXAEAKR-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66250835) is 4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is CQIIBRHOXAEAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-4-9(5-2)18(7-13(14,15)16)11(19)12(3)8-20-6-10(12)17/h9-10H,4-8,17H2,1-3H3.
What are the key properties of 4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66250835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).