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

C11H18F3N3O3 — CID 66235631

IUPAC4-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)C1COCC1N
InChIInChI=1S/C11H18F3N3O3/c1-16(2)9(18)3-17(6-11(12,13)14)10(19)7-4-20-5-8(7)15/h7-8H,3-6,15H2,1-2H3
InChIKeySDRJMVNFOQRVQP-UHFFFAOYSA-N
MW297.28 g/mol
LogP-0.56
Rot. Bonds4

About 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66235631) has the molecular formula C11H18F3N3O3 and a molecular weight of 297.28 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66235631
Molecular FormulaC11H18F3N3O3
Molecular Weight297.28 g/mol
Exact Mass297.13
IUPAC Name4-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)C1COCC1N
InChIInChI=1S/C11H18F3N3O3/c1-16(2)9(18)3-17(6-11(12,13)14)10(19)7-4-20-5-8(7)15/h7-8H,3-6,15H2,1-2H3
InChIKeySDRJMVNFOQRVQP-UHFFFAOYSA-N
XLogP-0.56
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 ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66235631) is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-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)C1COCC1N.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is SDRJMVNFOQRVQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N3O3/c1-16(2)9(18)3-17(6-11(12,13)14)10(19)7-4-20-5-8(7)15/h7-8H,3-6,15H2,1-2H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
4-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 -0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66235631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).