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

C9H16F3N3O2 — CID 54872042

IUPAC3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CCN
InChIInChI=1S/C9H16F3N3O2/c1-14(2)8(17)5-15(6-9(10,11)12)7(16)3-4-13/h3-6,13H2,1-2H3
InChIKeyQZJGNOWLGKGOJU-UHFFFAOYSA-N
MW255.24 g/mol
LogP-0.19
Rot. Bonds5

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

3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 54872042) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID54872042
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC Name3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCN(C)C(=O)CN(CC(F)(F)F)C(=O)CCN
InChIInChI=1S/C9H16F3N3O2/c1-14(2)8(17)5-15(6-9(10,11)12)7(16)3-4-13/h3-6,13H2,1-2H3
InChIKeyQZJGNOWLGKGOJU-UHFFFAOYSA-N
XLogP-0.19
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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)propanamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide (CID 54872042) is 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide is CN(C)C(=O)CN(CC(F)(F)F)C(=O)CCN.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is QZJGNOWLGKGOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-14(2)8(17)5-15(6-9(10,11)12)7(16)3-4-13/h3-6,13H2,1-2H3.
What are the key properties of 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide?
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 255.24 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 54872042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).