N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide

C17H25F3N2O3 — CID 119740740

IUPACN-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1
InChIInChI=1S/C17H25F3N2O3/c1-12-7-14(8-13(2)16(12)25-11-17(18,19)20)10-22(3)15(23)9-21-5-6-24-4/h7-8,21H,5-6,9-11H2,1-4H3
InChIKeyYZFBZJOVQIGSEV-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.44
Rot. Bonds9

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

N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide (PubChem CID 119740740) has the molecular formula C17H25F3N2O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide
PubChem CID119740740
Molecular FormulaC17H25F3N2O3
Molecular Weight362.39 g/mol
Exact Mass362.18
IUPAC NameN-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide
SMILESCOCCNCC(=O)N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1
InChIInChI=1S/C17H25F3N2O3/c1-12-7-14(8-13(2)16(12)25-11-17(18,19)20)10-22(3)15(23)9-21-5-6-24-4/h7-8,21H,5-6,9-11H2,1-4H3
InChIKeyYZFBZJOVQIGSEV-UHFFFAOYSA-N
XLogP2.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-(methylamino)acetamide;hydrochloride
CID 119740719
N-[(4-fluorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119683673
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylacetamide;hydrochloride
CID 119740725
N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide
CID 119740738
2-(2-methoxyethylamino)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119822107
N-[(4-bromophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908417
N-[(4-chlorophenyl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 78908421
4-amino-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylbenzamide
CID 119740716
N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methyl-2-thiomorpholin-3-ylacetamide
CID 119937412
2-(cyclopropylmethylamino)-N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylacetamide
CID 119766880
(2S,4S)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624510
(3R)-N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-N-methylpyrrolidine-3-carboxamide
CID 124588743

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The IUPAC name of N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide (CID 119740740) is N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide.
What is the SMILES notation for N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The canonical SMILES for N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide is COCCNCC(=O)N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1.
What is the InChIKey of N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
The InChIKey is YZFBZJOVQIGSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O3/c1-12-7-14(8-13(2)16(12)25-11-17(18,19)20)10-22(3)15(23)9-21-5-6-24-4/h7-8,21H,5-6,9-11H2,1-4H3.
What are the key properties of N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide?
N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide has a molecular weight of 362.39 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dimethyl-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2-(2-methoxyethylamino)-N-methylacetamide is sourced from PubChem (CID 119740740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).