N,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide

C17H18F3N3O2 — CID 58773574

IUPACN,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide
SMILESCc1nc(OCc2ccccc2CC(=O)N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N3O2/c1-11-21-14(17(18,19)20)9-15(22-11)25-10-13-7-5-4-6-12(13)8-16(24)23(2)3/h4-7,9H,8,10H2,1-3H3
InChIKeyIKRKXGCQTVUSRS-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.01
Rot. Bonds5

About N,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide

N,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide (PubChem CID 58773574) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide
PubChem CID58773574
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC NameN,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide
SMILESCc1nc(OCc2ccccc2CC(=O)N(C)C)cc(C(F)(F)F)n1
InChIInChI=1S/C17H18F3N3O2/c1-11-21-14(17(18,19)20)9-15(22-11)25-10-13-7-5-4-6-12(13)8-16(24)23(2)3/h4-7,9H,8,10H2,1-3H3
InChIKeyIKRKXGCQTVUSRS-UHFFFAOYSA-N
XLogP3.01
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide (CID 58773574) is N,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide is Cc1nc(OCc2ccccc2CC(=O)N(C)C)cc(C(F)(F)F)n1.
What is the InChIKey of N,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide?
The InChIKey is IKRKXGCQTVUSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-11-21-14(17(18,19)20)9-15(22-11)25-10-13-7-5-4-6-12(13)8-16(24)23(2)3/h4-7,9H,8,10H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide?
N,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide has a molecular weight of 353.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]acetamide is sourced from PubChem (CID 58773574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).