N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide

C26H23N3O4 — CID 53011552

IUPACN-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c1
InChIInChI=1S/C26H23N3O4/c1-31-21-11-12-24(32-2)20(14-21)16-27-26(30)19-9-6-10-22(13-19)33-25-15-23(28-17-29-25)18-7-4-3-5-8-18/h3-15,17H,16H2,1-2H3,(H,27,30)
InChIKeyWOYVDBKIOZDURL-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.88
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide

N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide (PubChem CID 53011552) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
PubChem CID53011552
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
SMILESCOc1ccc(OC)c(CNC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c1
InChIInChI=1S/C26H23N3O4/c1-31-21-11-12-24(32-2)20(14-21)16-27-26(30)19-9-6-10-22(13-19)33-25-15-23(28-17-29-25)18-7-4-3-5-8-18/h3-15,17H,16H2,1-2H3,(H,27,30)
InChIKeyWOYVDBKIOZDURL-UHFFFAOYSA-N
XLogP4.88
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368
N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021376
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide
CID 53021217
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
N-(oxolan-2-ylmethyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011541
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53115145
N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53011044
N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide
CID 53021354
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116904

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide (CID 53011552) is N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide is COc1ccc(OC)c(CNC(=O)c2cccc(Oc3cc(-c4ccccc4)ncn3)c2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
The InChIKey is WOYVDBKIOZDURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-31-21-11-12-24(32-2)20(14-21)16-27-26(30)19-9-6-10-22(13-19)33-25-15-23(28-17-29-25)18-7-4-3-5-8-18/h3-15,17H,16H2,1-2H3,(H,27,30).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide?
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide has a molecular weight of 441.49 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide is sourced from PubChem (CID 53011552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).