3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide

C22H22N2O5 — CID 90596216

IUPAC3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccc(Oc3ccccn3)c2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O5/c1-26-18-12-16(13-19(27-2)21(18)28-3)22(25)24-14-15-7-6-8-17(11-15)29-20-9-4-5-10-23-20/h4-13H,14H2,1-3H3,(H,24,25)
InChIKeyVUIOTKNBLPHWEM-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.83
Rot. Bonds8

About 3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide

3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide (PubChem CID 90596216) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
PubChem CID90596216
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2cccc(Oc3ccccn3)c2)cc(OC)c1OC
InChIInChI=1S/C22H22N2O5/c1-26-18-12-16(13-19(27-2)21(18)28-3)22(25)24-14-15-7-6-8-17(11-15)29-20-9-4-5-10-23-20/h4-13H,14H2,1-3H3,(H,24,25)
InChIKeyVUIOTKNBLPHWEM-UHFFFAOYSA-N
XLogP3.83
TPSA78.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-methylphenyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 121142482
2-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]acetamide
CID 90596122
4-(dimethylsulfamoyl)-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide
CID 90596113
N-[(3-pyridin-2-yloxyphenyl)methyl]-1,2-oxazole-5-carboxamide
CID 90596022
3,5-dimethoxy-N-[(3-methoxyphenyl)methyl]-4-phenylmethoxybenzamide
CID 9456400
1-methyl-6-oxo-N-[(3-pyridin-2-yloxyphenyl)methyl]pyridazine-3-carboxamide
CID 90596207
5-bromo-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-2-carboxamide
CID 90596276
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide
CID 90596035
N-[(3-chlorophenyl)methyl]-3,4,5-trimethoxybenzamide
CID 2681202
(E)-N-[(3-pyridin-2-yloxyphenyl)methyl]but-2-enamide
CID 90596212
6-methoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]-1H-indole-2-carboxamide
CID 90596329
2,5-dimethyl-N-[(3-pyridin-2-yloxyphenyl)methyl]furan-3-carboxamide;hydrochloride
CID 119099681

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide (CID 90596216) is 3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide is COc1cc(C(=O)NCc2cccc(Oc3ccccn3)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide?
The InChIKey is VUIOTKNBLPHWEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-26-18-12-16(13-19(27-2)21(18)28-3)22(25)24-14-15-7-6-8-17(11-15)29-20-9-4-5-10-23-20/h4-13H,14H2,1-3H3,(H,24,25).
What are the key properties of 3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide?
3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide has a molecular weight of 394.43 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(3-pyridin-2-yloxyphenyl)methyl]benzamide is sourced from PubChem (CID 90596216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).