N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide

C21H26N2O2 — CID 48982884

IUPACN-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccccc2N2CCOCC2)c1
InChIInChI=1S/C21H26N2O2/c1-15-8-9-16(2)19(14-15)17(3)22-21(24)18-6-4-5-7-20(18)23-10-12-25-13-11-23/h4-9,14,17H,10-13H2,1-3H3,(H,22,24)
InChIKeyXYBUPMSGFLFKGZ-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.63
Rot. Bonds4

About N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide

N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide (PubChem CID 48982884) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide
PubChem CID48982884
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2ccccc2N2CCOCC2)c1
InChIInChI=1S/C21H26N2O2/c1-15-8-9-16(2)19(14-15)17(3)22-21(24)18-6-4-5-7-20(18)23-10-12-25-13-11-23/h4-9,14,17H,10-13H2,1-3H3,(H,22,24)
InChIKeyXYBUPMSGFLFKGZ-UHFFFAOYSA-N
XLogP3.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2,5-dimethylphenyl)ethyl]-2-(tetrazol-1-yl)benzamide
CID 42893682
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26172084
N-[1-(2,5-dimethylphenyl)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 51336180
2,5-dimethyl-N-[(1S)-1-(2-methylphenyl)ethyl]benzamide
CID 31178331
2-morpholin-4-ylbenzohydrazide
CID 7148386
1,2-dimethyl-N-[1-(2-morpholin-4-ylphenyl)ethyl]-6-oxopyridine-4-carboxamide
CID 167788244
N-[1-(2,5-dimethylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 17495468
N-[(1S)-1-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 51956598
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methylbenzamide
CID 28633869
N-[(2S)-1-[[(1S)-1-(2,5-dimethylphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-2-methylbenzamide
CID 51709372
N-[2-(methylamino)propyl]-2-morpholin-4-ylbenzamide
CID 120827445

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide?
The IUPAC name of N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide (CID 48982884) is N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide.
What is the SMILES notation for N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide?
The canonical SMILES for N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide is Cc1ccc(C)c(C(C)NC(=O)c2ccccc2N2CCOCC2)c1.
What is the InChIKey of N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide?
The InChIKey is XYBUPMSGFLFKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-15-8-9-16(2)19(14-15)17(3)22-21(24)18-6-4-5-7-20(18)23-10-12-25-13-11-23/h4-9,14,17H,10-13H2,1-3H3,(H,22,24).
What are the key properties of N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide?
N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide has a molecular weight of 338.45 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylphenyl)ethyl]-2-morpholin-4-ylbenzamide is sourced from PubChem (CID 48982884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).