3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

C22H28N2O2 — CID 9144477

IUPAC3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H28N2O2/c1-16-4-7-19(8-5-16)21(15-24-10-12-26-13-11-24)23-22(25)20-9-6-17(2)18(3)14-20/h4-9,14,21H,10-13,15H2,1-3H3,(H,23,25)/t21-/m1/s1
InChIKeyFQGSSPTXWRUABJ-OAQYLSRUSA-N
MW352.48 g/mol
LogP3.42
Rot. Bonds5

About 3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide

3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (PubChem CID 9144477) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
PubChem CID9144477
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C22H28N2O2/c1-16-4-7-19(8-5-16)21(15-24-10-12-26-13-11-24)23-22(25)20-9-6-17(2)18(3)14-20/h4-9,14,21H,10-13,15H2,1-3H3,(H,23,25)/t21-/m1/s1
InChIKeyFQGSSPTXWRUABJ-OAQYLSRUSA-N
XLogP3.42
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-nitrobenzamide
CID 9144857
N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 24654813
3-methyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]-4-nitrobenzamide
CID 9148512
4-(diethylaminomethyl)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 42958898
2-(3,4-dimethylphenoxy)-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24505048
3,5-dimethyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 25485403
4-chloro-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 31383538
5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 27362650
N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51963827
N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[methyl(phenyl)sulfamoyl]benzamide
CID 31909479
N-[2-[[1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 47011909
3-[(4-methylphenyl)sulfamoyl]-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]benzamide
CID 30102988

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide (CID 9144477) is 3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
The InChIKey is FQGSSPTXWRUABJ-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-16-4-7-19(8-5-16)21(15-24-10-12-26-13-11-24)23-22(25)20-9-6-17(2)18(3)14-20/h4-9,14,21H,10-13,15H2,1-3H3,(H,23,25)/t21-/m1/s1.
What are the key properties of 3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide?
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide has a molecular weight of 352.48 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide is sourced from PubChem (CID 9144477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).