N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide

C12H19F3N4O — CID 56824316

IUPACN,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide
SMILESCN(CCC(=O)N(C)C)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C12H19F3N4O/c1-17(2)11(20)4-6-18(3)8-10-16-5-7-19(10)9-12(13,14)15/h5,7H,4,6,8-9H2,1-3H3
InChIKeyCRSYEPUFOUHGCW-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.36
Rot. Bonds6

About N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide

N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide (PubChem CID 56824316) has the molecular formula C12H19F3N4O and a molecular weight of 292.31 g/mol. Its IUPAC name is N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide
PubChem CID56824316
Molecular FormulaC12H19F3N4O
Molecular Weight292.31 g/mol
Exact Mass292.15
IUPAC NameN,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide
SMILESCN(CCC(=O)N(C)C)Cc1nccn1CC(F)(F)F
InChIInChI=1S/C12H19F3N4O/c1-17(2)11(20)4-6-18(3)8-10-16-5-7-19(10)9-12(13,14)15/h5,7H,4,6,8-9H2,1-3H3
InChIKeyCRSYEPUFOUHGCW-UHFFFAOYSA-N
XLogP1.36
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide (CID 56824316) is N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide is CN(CCC(=O)N(C)C)Cc1nccn1CC(F)(F)F.
What is the InChIKey of N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide?
The InChIKey is CRSYEPUFOUHGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N4O/c1-17(2)11(20)4-6-18(3)8-10-16-5-7-19(10)9-12(13,14)15/h5,7H,4,6,8-9H2,1-3H3.
What are the key properties of N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide?
N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide has a molecular weight of 292.31 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[methyl-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]amino]propanamide is sourced from PubChem (CID 56824316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).