4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide

C28H27N3O4 — CID 53116746

IUPAC4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
SMILESCCCOc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4cccc(OC)c4)nc3)cc2)cc1
InChIInChI=1S/C28H27N3O4/c1-3-15-34-24-13-7-20(8-14-24)17-29-27(32)22-11-9-21(10-12-22)23-18-30-28(31-19-23)35-26-6-4-5-25(16-26)33-2/h4-14,16,18-19H,3,15,17H2,1-2H3,(H,29,32)
InChIKeyYKJUUNMQUZNWJO-UHFFFAOYSA-N
MW469.54 g/mol
LogP5.66
Rot. Bonds10

About 4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide

4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide (PubChem CID 53116746) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is 4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
PubChem CID53116746
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
SMILESCCCOc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4cccc(OC)c4)nc3)cc2)cc1
InChIInChI=1S/C28H27N3O4/c1-3-15-34-24-13-7-20(8-14-24)17-29-27(32)22-11-9-21(10-12-22)23-18-30-28(31-19-23)35-26-6-4-5-25(16-26)33-2/h4-14,16,18-19H,3,15,17H2,1-2H3,(H,29,32)
InChIKeyYKJUUNMQUZNWJO-UHFFFAOYSA-N
XLogP5.66
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.54
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116689
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116782
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116901
N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116681
N-(3-ethoxypropyl)-4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116703
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53116683
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116904
N-[(3-methoxy-4-propoxyphenyl)methyl]-4-propoxybenzamide
CID 54777018
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53115145

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide (CID 53116746) is 4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide is CCCOc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4cccc(OC)c4)nc3)cc2)cc1.
What is the InChIKey of 4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide?
The InChIKey is YKJUUNMQUZNWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-3-15-34-24-13-7-20(8-14-24)17-29-27(32)22-11-9-21(10-12-22)23-18-30-28(31-19-23)35-26-6-4-5-25(16-26)33-2/h4-14,16,18-19H,3,15,17H2,1-2H3,(H,29,32).
What are the key properties of 4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide?
4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide has a molecular weight of 469.54 g/mol, XLogP of 5.66, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide is sourced from PubChem (CID 53116746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).