(3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone

C22H24F3NO5 — CID 92761333

IUPAC(3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
SMILESCOc1cc(C(=O)N2CCO[C@H](COc3cccc(C(F)(F)F)c3)C2)cc(OC)c1C
InChIInChI=1S/C22H24F3NO5/c1-14-19(28-2)9-15(10-20(14)29-3)21(27)26-7-8-30-18(12-26)13-31-17-6-4-5-16(11-17)22(23,24)25/h4-6,9-11,18H,7-8,12-13H2,1-3H3/t18-/m0/s1
InChIKeyOVQOUFAJKNTWMB-SFHVURJKSA-N
MW439.43 g/mol
LogP3.95
Rot. Bonds6

About (3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone

(3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone (PubChem CID 92761333) has the molecular formula C22H24F3NO5 and a molecular weight of 439.43 g/mol. Its IUPAC name is (3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
PubChem CID92761333
Molecular FormulaC22H24F3NO5
Molecular Weight439.43 g/mol
Exact Mass439.16
IUPAC Name(3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
SMILESCOc1cc(C(=O)N2CCO[C@H](COc3cccc(C(F)(F)F)c3)C2)cc(OC)c1C
InChIInChI=1S/C22H24F3NO5/c1-14-19(28-2)9-15(10-20(14)29-3)21(27)26-7-8-30-18(12-26)13-31-17-6-4-5-16(11-17)22(23,24)25/h4-6,9-11,18H,7-8,12-13H2,1-3H3/t18-/m0/s1
InChIKeyOVQOUFAJKNTWMB-SFHVURJKSA-N
XLogP3.95
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.43
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone 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-chloro-6-methyl-4-pyridinyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 92760487
(4-fluorophenyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 71955614
3-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholine-4-carbonyl]benzonitrile
CID 92759892
(6-bromo-2-pyridinyl)-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone
CID 46100342
[(2R)-2-[(3-methoxyphenoxy)methyl]morpholin-4-yl]-(4-methylphenyl)methanone
CID 93327745
[2-(hydroxymethyl)morpholin-4-yl]-[3-[3-(trifluoromethyl)phenoxy]phenyl]methanone
CID 71846639
benzyl N-[1-oxo-1-[2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]propan-2-yl]carbamate
CID 46100282
(4-chlorophenyl)-[(2S)-2-[(3-fluorophenoxy)methyl]morpholin-4-yl]methanone
CID 93336807
(2,6-difluoro-4-methoxyphenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 92758340
[2-(aminomethyl)morpholin-4-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 61338561
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
(2S)-1-[(2R)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]butan-2-ol
CID 99730970

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone?
The IUPAC name of (3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone (CID 92761333) is (3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone.
What is the SMILES notation for (3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone?
The canonical SMILES for (3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone is COc1cc(C(=O)N2CCO[C@H](COc3cccc(C(F)(F)F)c3)C2)cc(OC)c1C.
What is the InChIKey of (3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone?
The InChIKey is OVQOUFAJKNTWMB-SFHVURJKSA-N. The full InChI is InChI=1S/C22H24F3NO5/c1-14-19(28-2)9-15(10-20(14)29-3)21(27)26-7-8-30-18(12-26)13-31-17-6-4-5-16(11-17)22(23,24)25/h4-6,9-11,18H,7-8,12-13H2,1-3H3/t18-/m0/s1.
What are the key properties of (3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone?
(3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone has a molecular weight of 439.43 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxy-4-methylphenyl)-[(2S)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]methanone is sourced from PubChem (CID 92761333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).