N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C22H26F3N2O3+ — CID 9144552

IUPACN-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)COc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H25F3N2O3/c1-16-5-7-17(8-6-16)20(14-27-9-11-29-12-10-27)26-21(28)15-30-19-4-2-3-18(13-19)22(23,24)25/h2-8,13,20H,9-12,14-15H2,1H3,(H,26,28)/p+1/t20-/m0/s1
InChIKeySBDAGSSRFCBOKG-FQEVSTJZSA-O
MW423.46 g/mol
LogP2.17
Rot. Bonds7

About N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 9144552) has the molecular formula C22H26F3N2O3+ and a molecular weight of 423.46 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID9144552
Molecular FormulaC22H26F3N2O3+
Molecular Weight423.46 g/mol
Exact Mass423.19
IUPAC NameN-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)COc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C22H25F3N2O3/c1-16-5-7-17(8-6-16)20(14-27-9-11-29-12-10-27)26-21(28)15-30-19-4-2-3-18(13-19)22(23,24)25/h2-8,13,20H,9-12,14-15H2,1H3,(H,26,28)/p+1/t20-/m0/s1
InChIKeySBDAGSSRFCBOKG-FQEVSTJZSA-O
XLogP2.17
TPSA52.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.46
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-fluorophenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144554
2-(4-chloro-3-methylphenoxy)-N-[(1S)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9149088
2-(2-cyanophenoxy)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144508
2-(2-chloro-6-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144432
N-benzhydryl-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758154
2-(4-chlorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]acetamide
CID 9144440
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9257935
2-(4-chloro-2-methylphenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148638
2-(2-chlorophenoxy)-N-[(1R)-2-morpholin-4-ium-4-yl-1-phenylethyl]acetamide
CID 9148972
N-[(1S)-1-(furan-2-yl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 9481831
N-[1-(2-methylphenyl)ethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 112778632
methyl 4-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]carbamoyl]benzoate
CID 9144686

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 9144552) is N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)COc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is SBDAGSSRFCBOKG-FQEVSTJZSA-O. The full InChI is InChI=1S/C22H25F3N2O3/c1-16-5-7-17(8-6-16)20(14-27-9-11-29-12-10-27)26-21(28)15-30-19-4-2-3-18(13-19)22(23,24)25/h2-8,13,20H,9-12,14-15H2,1H3,(H,26,28)/p+1/t20-/m0/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 423.46 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ium-4-ylethyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 9144552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).