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

C12H21F3N2O2 — CID 64892150

IUPAC3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C12H21F3N2O2/c1-3-9(4-2)17(7-12(13,14)15)10(18)11(16)5-6-19-8-11/h9H,3-8,16H2,1-2H3
InChIKeyMRUHLCAPSMABRA-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.68
Rot. Bonds5

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

3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 64892150) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID64892150
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCCC(CC)N(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C12H21F3N2O2/c1-3-9(4-2)17(7-12(13,14)15)10(18)11(16)5-6-19-8-11/h9H,3-8,16H2,1-2H3
InChIKeyMRUHLCAPSMABRA-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 64892150) is 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CCC(CC)N(CC(F)(F)F)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is MRUHLCAPSMABRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-9(4-2)17(7-12(13,14)15)10(18)11(16)5-6-19-8-11/h9H,3-8,16H2,1-2H3.
What are the key properties of 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).