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

C12H20F3N3O3 — CID 66248097

IUPAC4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1(C)COCC1N
InChIInChI=1S/C12H20F3N3O3/c1-11(7-21-5-8(11)16)10(20)18(6-12(13,14)15)4-9(19)17(2)3/h8H,4-7,16H2,1-3H3
InChIKeyICHFUOPPNMKACV-UHFFFAOYSA-N
MW311.30 g/mol
LogP-0.17
Rot. Bonds4

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

4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (PubChem CID 66248097) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
PubChem CID66248097
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC Name4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)C1(C)COCC1N
InChIInChI=1S/C12H20F3N3O3/c1-11(7-21-5-8(11)16)10(20)18(6-12(13,14)15)4-9(19)17(2)3/h8H,4-7,16H2,1-3H3
InChIKeyICHFUOPPNMKACV-UHFFFAOYSA-N
XLogP-0.17
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 5-0.17
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]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide (CID 66248097) is 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)C1(C)COCC1N.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
The InChIKey is ICHFUOPPNMKACV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-11(7-21-5-8(11)16)10(20)18(6-12(13,14)15)4-9(19)17(2)3/h8H,4-7,16H2,1-3H3.
What are the key properties of 4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide?
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide has a molecular weight of 311.30 g/mol, XLogP of -0.17, 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]-3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide is sourced from PubChem (CID 66248097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).