2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide

C17H25F3N2O2 — CID 25166880

IUPAC2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide
SMILESCCCCOc1cc(CCNCC(=O)N(C)C)ccc1C(F)(F)F
InChIInChI=1S/C17H25F3N2O2/c1-4-5-10-24-15-11-13(6-7-14(15)17(18,19)20)8-9-21-12-16(23)22(2)3/h6-7,11,21H,4-5,8-10,12H2,1-3H3
InChIKeyYWKKIXDXGQJWAC-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.10
Rot. Bonds9

About 2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide

2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide (PubChem CID 25166880) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide
PubChem CID25166880
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC Name2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide
SMILESCCCCOc1cc(CCNCC(=O)N(C)C)ccc1C(F)(F)F
InChIInChI=1S/C17H25F3N2O2/c1-4-5-10-24-15-11-13(6-7-14(15)17(18,19)20)8-9-21-12-16(23)22(2)3/h6-7,11,21H,4-5,8-10,12H2,1-3H3
InChIKeyYWKKIXDXGQJWAC-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide
CID 155564075
2-[2-(3-butoxy-2-chlorophenyl)ethylamino]-N,N-dimethylacetamide;2-[2-(3-butoxy-2-fluorophenyl)ethylamino]-N,N-dimethylacetamide;2-[2-(3-butylsulfanylphenyl)ethylamino]-N,N-dimethylacetamide
CID 159021678
2-[2-(4-chlorophenyl)ethylamino]-N,N-dimethylacetamide
CID 60672208
methyl 3-[4-heptoxy-3-(trifluoromethyl)phenyl]propanoate
CID 143869085
2-[4-butoxy-3-(trifluoromethyl)phenyl]ethanamine
CID 55205104
2-(3-butoxy-4-tert-butylphenyl)ethanol
CID 89492931
4-hexyl-2-methoxy-1-(trifluoromethyl)benzene
CID 90733301
methyl 3-(3-methoxypropoxy)-4-(trifluoromethyl)benzoate
CID 68559841
N-[[4-butoxy-3-(trifluoromethyl)phenyl]methyl]-2-methoxyethanamine
CID 63320255
[4-[4-heptoxy-3-(trifluoromethyl)phenyl]-1-hydroxy-2-methylbutan-2-yl]carbamic acid
CID 152764439
butyl 2-(2-phenylethylamino)acetate
CID 60679601
3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
CID 63320392

Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide (CID 25166880) is 2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide is CCCCOc1cc(CCNCC(=O)N(C)C)ccc1C(F)(F)F.
What is the InChIKey of 2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide?
The InChIKey is YWKKIXDXGQJWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-4-5-10-24-15-11-13(6-7-14(15)17(18,19)20)8-9-21-12-16(23)22(2)3/h6-7,11,21H,4-5,8-10,12H2,1-3H3.
What are the key properties of 2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide?
2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide has a molecular weight of 346.39 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 25166880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).