8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one

C22H33F3N2O2 — CID 21319333

IUPAC8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one
SMILESCC(C)C(CCCCCC(=O)N1CCOCC1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H33F3N2O2/c1-17(2)20(26-16-18-7-6-8-19(15-18)22(23,24)25)9-4-3-5-10-21(28)27-11-13-29-14-12-27/h6-8,15,17,20,26H,3-5,9-14,16H2,1-2H3
InChIKeyWUPQAILWDKQATJ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.63
Rot. Bonds10

About 8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one

8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one (PubChem CID 21319333) has the molecular formula C22H33F3N2O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one.

Molecular Properties

Compound Name8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one
PubChem CID21319333
Molecular FormulaC22H33F3N2O2
Molecular Weight414.51 g/mol
Exact Mass414.25
IUPAC Name8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one
SMILESCC(C)C(CCCCCC(=O)N1CCOCC1)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H33F3N2O2/c1-17(2)20(26-16-18-7-6-8-19(15-18)22(23,24)25)9-4-3-5-10-21(28)27-11-13-29-14-12-27/h6-8,15,17,20,26H,3-5,9-14,16H2,1-2H3
InChIKeyWUPQAILWDKQATJ-UHFFFAOYSA-N
XLogP4.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.63
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

1-iodo-3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 114009985
N-(4-morpholin-4-yl-4-oxobutyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 53286809
4-amino-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butan-1-one
CID 119833281
3-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 43177982
4-amino-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119833280
[6-oxo-6-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]hexyl]urea
CID 9474424
1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 86993073
methyl 2-[[3-(trifluoromethyl)phenyl]methylamino]propanoate
CID 60691144
2-morpholin-4-yl-1-[4-[4-[3-(trifluoromethyl)phenyl]butyl]piperazin-1-yl]ethanone
CID 91651791
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43087745
4-methyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]pentan-1-one
CID 56552591
4-phenyl-1-[4-[2-[3-(trifluoromethyl)anilino]acetyl]piperazin-1-yl]butan-1-one
CID 56551539

Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one?
The IUPAC name of 8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one (CID 21319333) is 8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one.
What is the SMILES notation for 8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one?
The canonical SMILES for 8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one is CC(C)C(CCCCCC(=O)N1CCOCC1)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one?
The InChIKey is WUPQAILWDKQATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33F3N2O2/c1-17(2)20(26-16-18-7-6-8-19(15-18)22(23,24)25)9-4-3-5-10-21(28)27-11-13-29-14-12-27/h6-8,15,17,20,26H,3-5,9-14,16H2,1-2H3.
What are the key properties of 8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one?
8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one has a molecular weight of 414.51 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-morpholin-4-yl-7-[[3-(trifluoromethyl)phenyl]methylamino]nonan-1-one is sourced from PubChem (CID 21319333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).