N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide

C18H25F3N2O2 — CID 119740738

IUPACN-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCc1cc(CN(C)C(=O)CC2CCCN2)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c1-12-7-14(8-13(2)17(12)25-11-18(19,20)21)10-23(3)16(24)9-15-5-4-6-22-15/h7-8,15,22H,4-6,9-11H2,1-3H3
InChIKeySVEWSLSNOYNZGN-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.35
Rot. Bonds6

About N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide

N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide (PubChem CID 119740738) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
PubChem CID119740738
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC NameN-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
SMILESCc1cc(CN(C)C(=O)CC2CCCN2)cc(C)c1OCC(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c1-12-7-14(8-13(2)17(12)25-11-18(19,20)21)10-23(3)16(24)9-15-5-4-6-22-15/h7-8,15,22H,4-6,9-11H2,1-3H3
InChIKeySVEWSLSNOYNZGN-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide (CID 119740738) is N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide is Cc1cc(CN(C)C(=O)CC2CCCN2)cc(C)c1OCC(F)(F)F.
What is the InChIKey of N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
The InChIKey is SVEWSLSNOYNZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-12-7-14(8-13(2)17(12)25-11-18(19,20)21)10-23(3)16(24)9-15-5-4-6-22-15/h7-8,15,22H,4-6,9-11H2,1-3H3.
What are the key properties of N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide?
N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide has a molecular weight of 358.40 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119740738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).