6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide

C15H21F3N2O2 — CID 167849259

IUPAC6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
SMILESCN(C)CCCCCC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O2/c1-20(2)10-5-3-4-9-14(21)19-12-7-6-8-13(11-12)22-15(16,17)18/h6-8,11H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyAQCBKRYOPBLANO-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.65
Rot. Bonds8

About 6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide

6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide (PubChem CID 167849259) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide.

Molecular Properties

Compound Name6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
PubChem CID167849259
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
SMILESCN(C)CCCCCC(=O)Nc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O2/c1-20(2)10-5-3-4-9-14(21)19-12-7-6-8-13(11-12)22-15(16,17)18/h6-8,11H,3-5,9-10H2,1-2H3,(H,19,21)
InChIKeyAQCBKRYOPBLANO-UHFFFAOYSA-N
XLogP3.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.65
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

5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
4-(propan-2-ylamino)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 60850049
5-(carbamoylamino)-N-[3-(trifluoromethoxy)phenyl]pentanamide
CID 38207270
N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide
CID 119885809
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid
CID 43318577
tert-butyl N-[3-oxo-3-[3-(trifluoromethoxy)anilino]propyl]carbamate
CID 38207855
N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
CID 47033491
2,2-dimethyl-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 60725225
methyl 6-[[3-(trifluoromethoxy)phenyl]carbamoylamino]hexanoate
CID 87007664
4-(4-cyano-2-methoxyphenoxy)-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 55712515
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide?
The IUPAC name of 6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide (CID 167849259) is 6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide.
What is the SMILES notation for 6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide?
The canonical SMILES for 6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide is CN(C)CCCCCC(=O)Nc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide?
The InChIKey is AQCBKRYOPBLANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-20(2)10-5-3-4-9-14(21)19-12-7-6-8-13(11-12)22-15(16,17)18/h6-8,11H,3-5,9-10H2,1-2H3,(H,19,21).
What are the key properties of 6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide?
6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide has a molecular weight of 318.34 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide is sourced from PubChem (CID 167849259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).