N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

C23H26F3N3O3 — CID 47011909

IUPACN-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(C(CN2CCOCC2)NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H26F3N3O3/c1-16-2-4-17(5-3-16)20(15-29-10-12-32-13-11-29)28-21(30)14-27-22(31)18-6-8-19(9-7-18)23(24,25)26/h2-9,20H,10-15H2,1H3,(H,27,31)(H,28,30)
InChIKeyUBVAQVXZGGMFFM-UHFFFAOYSA-N
MW449.47 g/mol
LogP2.93
Rot. Bonds7

About N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 47011909) has the molecular formula C23H26F3N3O3 and a molecular weight of 449.47 g/mol. Its IUPAC name is N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID47011909
Molecular FormulaC23H26F3N3O3
Molecular Weight449.47 g/mol
Exact Mass449.19
IUPAC NameN-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCc1ccc(C(CN2CCOCC2)NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C23H26F3N3O3/c1-16-2-4-17(5-3-16)20(15-29-10-12-32-13-11-29)28-21(30)14-27-22(31)18-6-8-19(9-7-18)23(24,25)26/h2-9,20H,10-15H2,1H3,(H,27,31)(H,28,30)
InChIKeyUBVAQVXZGGMFFM-UHFFFAOYSA-N
XLogP2.93
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 51641243
4-ethoxy-N-[2-[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]-2-oxoethyl]benzamide
CID 9149139
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-ylacetamide
CID 51925350
4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 42958898
3-(4-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 9144843
4-(4-ethoxyphenyl)-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-oxobutanamide
CID 9144519
4-methyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]benzamide
CID 770701
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
2-(4-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144531
2-(2,6-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144717

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 47011909) is N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is Cc1ccc(C(CN2CCOCC2)NC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is UBVAQVXZGGMFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N3O3/c1-16-2-4-17(5-3-16)20(15-29-10-12-32-13-11-29)28-21(30)14-27-22(31)18-6-8-19(9-7-18)23(24,25)26/h2-9,20H,10-15H2,1H3,(H,27,31)(H,28,30).
What are the key properties of N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 449.47 g/mol, XLogP of 2.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 47011909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).