N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide

C17H25F3N2O2 — CID 155564075

IUPACN,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide
SMILESCN(C)C(=O)CNCCc1cccc(OCCCC(F)(F)CF)c1
InChIInChI=1S/C17H25F3N2O2/c1-22(2)16(23)12-21-9-7-14-5-3-6-15(11-14)24-10-4-8-17(19,20)13-18/h3,5-6,11,21H,4,7-10,12-13H2,1-2H3
InChIKeyRUDUODVZLLAONY-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.67
Rot. Bonds11

About N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide

N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide (PubChem CID 155564075) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide
PubChem CID155564075
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC NameN,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide
SMILESCN(C)C(=O)CNCCc1cccc(OCCCC(F)(F)CF)c1
InChIInChI=1S/C17H25F3N2O2/c1-22(2)16(23)12-21-9-7-14-5-3-6-15(11-14)24-10-4-8-17(19,20)13-18/h3,5-6,11,21H,4,7-10,12-13H2,1-2H3
InChIKeyRUDUODVZLLAONY-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.67
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

2-[2-(3-butoxy-2-chlorophenyl)ethylamino]-N,N-dimethylacetamide;2-[2-(3-butylsulfanylphenyl)ethylamino]-N,N-dimethylacetamide;N,N-dimethyl-2-[2-[3-(4,4,4-trifluorobutoxy)phenyl]ethylamino]acetamide
CID 159133467
3-[2-(3-pentoxyphenyl)ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 23121382
2-[2-[3-butoxy-4-(trifluoromethyl)phenyl]ethylamino]-N,N-dimethylacetamide
CID 25166880
3-[2-(3-nonoxyphenyl)ethylamino]propanoic acid;2,2,2-trifluoroacetic acid
CID 66853279
2-[2-(3-hexoxyphenyl)ethylamino]-N-methylacetamide
CID 25165875
N,N-dimethyl-5-(3-propylphenoxy)pentanamide
CID 173258398
3-[2-(3-hexoxyphenyl)ethylamino]propanoic acid
CID 23121635
3-[2-(3-decoxyphenyl)ethylamino]propanoic acid
CID 23121759
2-[2-(3-butoxyphenyl)ethylamino]-3-methoxy-N,N-dimethylpropanamide
CID 25166469
3-[3-[(2-methoxyethylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 63057423
(2,2,2-trifluoroacetyl) 3-[2-(3-nonoxyphenyl)ethylamino]propanoate
CID 87180101
2-(2-methoxyethylamino)-N-methyl-N-[[3-(trifluoromethoxy)phenyl]methyl]acetamide;hydrochloride
CID 119822107

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide?
The IUPAC name of N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide (CID 155564075) is N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide is CN(C)C(=O)CNCCc1cccc(OCCCC(F)(F)CF)c1.
What is the InChIKey of N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide?
The InChIKey is RUDUODVZLLAONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-22(2)16(23)12-21-9-7-14-5-3-6-15(11-14)24-10-4-8-17(19,20)13-18/h3,5-6,11,21H,4,7-10,12-13H2,1-2H3.
What are the key properties of N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide?
N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.67, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[2-[3-(4,4,5-trifluoropentoxy)phenyl]ethylamino]acetamide is sourced from PubChem (CID 155564075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).