N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide

C21H24N2O3 — CID 577309

IUPACN-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-14-8-10-17(11-9-14)20(24)22-19-7-5-4-6-18(19)21(25)23-12-15(2)26-16(3)13-23/h4-11,15-16H,12-13H2,1-3H3,(H,22,24)
InChIKeyWLBLUFXBTJPJQM-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.50
Rot. Bonds3

About N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide

N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide (PubChem CID 577309) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide
PubChem CID577309
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccccc2C(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-14-8-10-17(11-9-14)20(24)22-19-7-5-4-6-18(19)21(25)23-12-15(2)26-16(3)13-23/h4-11,15-16H,12-13H2,1-3H3,(H,22,24)
InChIKeyWLBLUFXBTJPJQM-UHFFFAOYSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide?
The IUPAC name of N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide (CID 577309) is N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide?
The InChIKey is WLBLUFXBTJPJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14-8-10-17(11-9-14)20(24)22-19-7-5-4-6-18(19)21(25)23-12-15(2)26-16(3)13-23/h4-11,15-16H,12-13H2,1-3H3,(H,22,24).
What are the key properties of N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide?
N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide has a molecular weight of 352.43 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 577309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).