2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

C22H26F3N3O2 — CID 2657242

IUPAC2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H26F3N3O2/c1-5-8-28(11-18(29)26-17-7-6-16(23)20(24)21(17)25)12-19(30)27-22-14(3)9-13(2)10-15(22)4/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyBJUDAFJFSOJARO-UHFFFAOYSA-N
MW421.46 g/mol
LogP4.32
Rot. Bonds8

About 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide

2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (PubChem CID 2657242) has the molecular formula C22H26F3N3O2 and a molecular weight of 421.46 g/mol. Its IUPAC name is 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
PubChem CID2657242
Molecular FormulaC22H26F3N3O2
Molecular Weight421.46 g/mol
Exact Mass421.20
IUPAC Name2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
SMILESCCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C22H26F3N3O2/c1-5-8-28(11-18(29)26-17-7-6-16(23)20(24)21(17)25)12-19(30)27-22-14(3)9-13(2)10-15(22)4/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyBJUDAFJFSOJARO-UHFFFAOYSA-N
XLogP4.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221850
2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2467731
2-[(2-methylphenyl)methyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 24566253
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]acetic acid
CID 61006911
2-[[2-(3-acetamidoanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 78787968
2-[[2-(3-ethylanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104051
2-[[2-(2-ethoxyanilino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221961
N-(3-methoxypropyl)-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-propylamino]acetamide
CID 78787969
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27104198
2-[[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 27221865
3,4-dimethyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propylbenzamide
CID 112790057
2-[(2,5-dimethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 30329201

Frequently Asked Questions

What is the IUPAC name of 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The IUPAC name of 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide (CID 2657242) is 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide.
What is the SMILES notation for 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The canonical SMILES for 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is CCCN(CC(=O)Nc1ccc(F)c(F)c1F)CC(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
The InChIKey is BJUDAFJFSOJARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O2/c1-5-8-28(11-18(29)26-17-7-6-16(23)20(24)21(17)25)12-19(30)27-22-14(3)9-13(2)10-15(22)4/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide?
2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide has a molecular weight of 421.46 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-propylamino]-N-(2,3,4-trifluorophenyl)acetamide is sourced from PubChem (CID 2657242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).