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

C12H20F3N3O3 — CID 66267589

IUPACN-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C12H20F3N3O3/c1-16-9-6-21-5-8(9)11(20)18(7-12(13,14)15)4-10(19)17(2)3/h8-9,16H,4-7H2,1-3H3
InChIKeyPAIKLXVCVBQPDT-UHFFFAOYSA-N
MW311.30 g/mol
LogP-0.30
Rot. Bonds5

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

N-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66267589) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66267589
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC NameN-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCNC1COCC1C(=O)N(CC(=O)N(C)C)CC(F)(F)F
InChIInChI=1S/C12H20F3N3O3/c1-16-9-6-21-5-8(9)11(20)18(7-12(13,14)15)4-10(19)17(2)3/h8-9,16H,4-7H2,1-3H3
InChIKeyPAIKLXVCVBQPDT-UHFFFAOYSA-N
XLogP-0.30
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66267589) is N-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CNC1COCC1C(=O)N(CC(=O)N(C)C)CC(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is PAIKLXVCVBQPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-16-9-6-21-5-8(9)11(20)18(7-12(13,14)15)4-10(19)17(2)3/h8-9,16H,4-7H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
N-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 311.30 g/mol, XLogP of -0.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-oxoethyl]-4-(methylamino)-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66267589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).