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

C13H23F3N2O2 — CID 115294311

IUPAC4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C13H23F3N2O2/c1-3-10(4-2)18(9-13(14,15)16)11(19)12(17)5-7-20-8-6-12/h10H,3-9,17H2,1-2H3
InChIKeyXHJQYZPOIMYINQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.07
Rot. Bonds5

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

4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (PubChem CID 115294311) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
PubChem CID115294311
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1(N)CCOCC1
InChIInChI=1S/C13H23F3N2O2/c1-3-10(4-2)18(9-13(14,15)16)11(19)12(17)5-7-20-8-6-12/h10H,3-9,17H2,1-2H3
InChIKeyXHJQYZPOIMYINQ-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide (CID 115294311) is 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
The InChIKey is XHJQYZPOIMYINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-3-10(4-2)18(9-13(14,15)16)11(19)12(17)5-7-20-8-6-12/h10H,3-9,17H2,1-2H3.
What are the key properties of 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide?
4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxane-4-carboxamide is sourced from PubChem (CID 115294311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).