2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide

C22H21NO4 — CID 24682124

IUPAC2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccccc2Oc2ccc(C)cc2)c1
InChIInChI=1S/C22H21NO4/c1-15-8-10-16(11-9-15)27-21-7-5-4-6-19(21)23-22(24)18-14-17(25-2)12-13-20(18)26-3/h4-14H,1-3H3,(H,23,24)
InChIKeyYLDORFZDVYDBEG-UHFFFAOYSA-N
MW363.41 g/mol
LogP5.06
Rot. Bonds6

About 2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide

2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide (PubChem CID 24682124) has the molecular formula C22H21NO4 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide
PubChem CID24682124
Molecular FormulaC22H21NO4
Molecular Weight363.41 g/mol
Exact Mass363.15
IUPAC Name2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide
SMILESCOc1ccc(OC)c(C(=O)Nc2ccccc2Oc2ccc(C)cc2)c1
InChIInChI=1S/C22H21NO4/c1-15-8-10-16(11-9-15)27-21-7-5-4-6-19(21)23-22(24)18-14-17(25-2)12-13-20(18)26-3/h4-14H,1-3H3,(H,23,24)
InChIKeyYLDORFZDVYDBEG-UHFFFAOYSA-N
XLogP5.06
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.41
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide?
The IUPAC name of 2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide (CID 24682124) is 2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide.
What is the SMILES notation for 2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide?
The canonical SMILES for 2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide is COc1ccc(OC)c(C(=O)Nc2ccccc2Oc2ccc(C)cc2)c1.
What is the InChIKey of 2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide?
The InChIKey is YLDORFZDVYDBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO4/c1-15-8-10-16(11-9-15)27-21-7-5-4-6-19(21)23-22(24)18-14-17(25-2)12-13-20(18)26-3/h4-14H,1-3H3,(H,23,24).
What are the key properties of 2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide?
2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide has a molecular weight of 363.41 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-N-[2-(4-methylphenoxy)phenyl]benzamide is sourced from PubChem (CID 24682124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).