N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide

C22H26F3N3O2 — CID 166201585

IUPACN'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide
SMILESCc1cccc(C)c1CNC(=O)C(=O)NCC(c1cccc(C(F)(F)F)c1)N(C)C
InChIInChI=1S/C22H26F3N3O2/c1-14-7-5-8-15(2)18(14)12-26-20(29)21(30)27-13-19(28(3)4)16-9-6-10-17(11-16)22(23,24)25/h5-11,19H,12-13H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyBUWNQUVZYVPWHJ-UHFFFAOYSA-N
MW421.46 g/mol
LogP3.36
Rot. Bonds6

About N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide

N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide (PubChem CID 166201585) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide
PubChem CID166201585
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC NameN'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide
SMILESCc1cccc(C)c1CNC(=O)C(=O)NCC(c1cccc(C(F)(F)F)c1)N(C)C
InChIInChI=1S/C22H26F3N3O2/c1-14-7-5-8-15(2)18(14)12-26-20(29)21(30)27-13-19(28(3)4)16-9-6-10-17(11-16)22(23,24)25/h5-11,19H,12-13H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyBUWNQUVZYVPWHJ-UHFFFAOYSA-N
XLogP3.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-chloro-2-methylphenyl)methyl]-N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]oxamide
CID 166201588
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 34964617
N-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 119056801
N-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 56538872
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dimethylbenzamide
CID 111108691
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024409
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetamide
CID 46592151
N-[(2S)-2-(dimethylamino)-2-(4-methylphenyl)ethyl]-N'-(2,2,2-trifluoroethyl)oxamide
CID 94219164
N'-(3-ethyl-1,2,4-thiadiazol-5-yl)-N,N-dimethyl-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479867
N,N-dimethyl-N'-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 133479856
N-[(2S)-2-acetamido-2-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 124589498
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177

Frequently Asked Questions

What is the IUPAC name of N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide?
The IUPAC name of N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide (CID 166201585) is N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide?
The canonical SMILES for N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide is Cc1cccc(C)c1CNC(=O)C(=O)NCC(c1cccc(C(F)(F)F)c1)N(C)C.
What is the InChIKey of N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide?
The InChIKey is BUWNQUVZYVPWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c1-14-7-5-8-15(2)18(14)12-26-20(29)21(30)27-13-19(28(3)4)16-9-6-10-17(11-16)22(23,24)25/h5-11,19H,12-13H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide?
N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide has a molecular weight of 421.46 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]ethyl]-N-[(2,6-dimethylphenyl)methyl]oxamide is sourced from PubChem (CID 166201585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).