3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

C11H18F3N3O3 — CID 64892558

IUPAC3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C11H18F3N3O3/c1-16(2)8(18)5-17(6-11(12,13)14)9(19)10(15)3-4-20-7-10/h3-7,15H2,1-2H3
InChIKeyKQNSNQIWHYYWAW-UHFFFAOYSA-N
MW297.28 g/mol
LogP-0.42
Rot. Bonds4

About 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 64892558) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID64892558
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1(N)CCOC1
InChIInChI=1S/C11H18F3N3O3/c1-16(2)8(18)5-17(6-11(12,13)14)9(19)10(15)3-4-20-7-10/h3-7,15H2,1-2H3
InChIKeyKQNSNQIWHYYWAW-UHFFFAOYSA-N
XLogP-0.42
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 64892558) is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is KQNSNQIWHYYWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-16(2)8(18)5-17(6-11(12,13)14)9(19)10(15)3-4-20-7-10/h3-7,15H2,1-2H3.
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 297.28 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 64892558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).