2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide

C19H26F3N3O3 — CID 86886702

IUPAC2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(=O)NC(C)(C)C(=O)Nc1ccc(N2CC(C)OC(C)C2)c(C(F)(F)F)c1
InChIInChI=1S/C19H26F3N3O3/c1-11-9-25(10-12(2)28-11)16-7-6-14(8-15(16)19(20,21)22)23-17(27)18(4,5)24-13(3)26/h6-8,11-12H,9-10H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyLCDLHMRTKPWYAC-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.17
Rot. Bonds4

About 2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide

2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide (PubChem CID 86886702) has the molecular formula C19H26F3N3O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide
PubChem CID86886702
Molecular FormulaC19H26F3N3O3
Molecular Weight401.43 g/mol
Exact Mass401.19
IUPAC Name2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(=O)NC(C)(C)C(=O)Nc1ccc(N2CC(C)OC(C)C2)c(C(F)(F)F)c1
InChIInChI=1S/C19H26F3N3O3/c1-11-9-25(10-12(2)28-11)16-7-6-14(8-15(16)19(20,21)22)23-17(27)18(4,5)24-13(3)26/h6-8,11-12H,9-10H2,1-5H3,(H,23,27)(H,24,26)
InChIKeyLCDLHMRTKPWYAC-UHFFFAOYSA-N
XLogP3.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea
CID 47042942
1-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]urea
CID 52531359
(5-chlorothiophen-2-yl) N-[2-methyl-1-[4-(4-methyl-1,4-diazepan-1-yl)-3-(trifluoromethyl)anilino]-1-oxopropan-2-yl]carbamate
CID 69491165
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide
CID 94189690
N-[3-[[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]carbamoylamino]methyl]phenyl]acetamide
CID 55747141
5-bromo-N-[2-methyl-1-oxo-1-[4-(3-oxomorpholin-4-yl)-3-(trifluoromethyl)anilino]propan-2-yl]thiophene-2-carboxamide
CID 69058430
2-(2,6-dimethylmorpholin-4-yl)-5-(trifluoromethyl)benzaldehyde
CID 18455608
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-(5-hydroxy-2,2-dimethylpentyl)urea
CID 97256038
2-acetamido-2-methyl-N-phenylpropanamide
CID 67963180
N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 19958570
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-nitrophenyl]acetamide
CID 9116895
2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-nitrophenyl]acetamide
CID 9116893

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide (CID 86886702) is 2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide is CC(=O)NC(C)(C)C(=O)Nc1ccc(N2CC(C)OC(C)C2)c(C(F)(F)F)c1.
What is the InChIKey of 2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
The InChIKey is LCDLHMRTKPWYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O3/c1-11-9-25(10-12(2)28-11)16-7-6-14(8-15(16)19(20,21)22)23-17(27)18(4,5)24-13(3)26/h6-8,11-12H,9-10H2,1-5H3,(H,23,27)(H,24,26).
What are the key properties of 2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide?
2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide has a molecular weight of 401.43 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-(2,6-dimethylmorpholin-4-yl)-3-(trifluoromethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 86886702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).