3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

C22H23F3N2O5 — CID 16579252

IUPAC3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H23F3N2O5/c1-14-3-5-16(12-17(14)22(23,24)25)26-21(29)15-4-6-18(19(11-15)30-2)32-13-20(28)27-7-9-31-10-8-27/h3-6,11-12H,7-10,13H2,1-2H3,(H,26,29)
InChIKeyMCCSRUOYORMVHM-UHFFFAOYSA-N
MW452.43 g/mol
LogP3.51
Rot. Bonds6

About 3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide

3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (PubChem CID 16579252) has the molecular formula C22H23F3N2O5 and a molecular weight of 452.43 g/mol. Its IUPAC name is 3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.

Molecular Properties

Compound Name3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
PubChem CID16579252
Molecular FormulaC22H23F3N2O5
Molecular Weight452.43 g/mol
Exact Mass452.16
IUPAC Name3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C22H23F3N2O5/c1-14-3-5-16(12-17(14)22(23,24)25)26-21(29)15-4-6-18(19(11-15)30-2)32-13-20(28)27-7-9-31-10-8-27/h3-6,11-12H,7-10,13H2,1-2H3,(H,26,29)
InChIKeyMCCSRUOYORMVHM-UHFFFAOYSA-N
XLogP3.51
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide 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

3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 2363825
[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea
CID 169358575
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-phenylphenyl)benzamide
CID 4876101
N-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]adamantane-1-carboxamide
CID 16762834
3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
CID 25163897
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
3,4-dimethoxy-N-[4-(2-morpholin-4-ylethylamino)phenyl]benzamide
CID 112981431
4-fluoro-N-[(Z)-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylideneamino]benzamide
CID 9016723
N-(1-benzylpiperidin-4-yl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4847857
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
3-fluoro-4-methoxy-N-[4-(2-morpholin-4-yl-2-oxoethyl)phenyl]benzamide
CID 39939250
N-cyclopropyl-3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 9165476

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The IUPAC name of 3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide (CID 16579252) is 3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide.
What is the SMILES notation for 3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The canonical SMILES for 3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is COc1cc(C(=O)Nc2ccc(C)c(C(F)(F)F)c2)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
The InChIKey is MCCSRUOYORMVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O5/c1-14-3-5-16(12-17(14)22(23,24)25)26-21(29)15-4-6-18(19(11-15)30-2)32-13-20(28)27-7-9-31-10-8-27/h3-6,11-12H,7-10,13H2,1-2H3,(H,26,29).
What are the key properties of 3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide?
3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide has a molecular weight of 452.43 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[4-methyl-3-(trifluoromethyl)phenyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide is sourced from PubChem (CID 16579252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).