3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide

C28H27N3O4 — CID 53115145

IUPAC3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide
SMILESCCCOc1ccc(CNC(=O)c2cccc(-c3cc(Oc4ccc(OC)cc4)ncn3)c2)cc1
InChIInChI=1S/C28H27N3O4/c1-3-15-34-24-9-7-20(8-10-24)18-29-28(32)22-6-4-5-21(16-22)26-17-27(31-19-30-26)35-25-13-11-23(33-2)12-14-25/h4-14,16-17,19H,3,15,18H2,1-2H3,(H,29,32)
InChIKeyFAJLJZRVUPEIOY-UHFFFAOYSA-N
MW469.54 g/mol
LogP5.66
Rot. Bonds10

About 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide

3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide (PubChem CID 53115145) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide
PubChem CID53115145
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC Name3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide
SMILESCCCOc1ccc(CNC(=O)c2cccc(-c3cc(Oc4ccc(OC)cc4)ncn3)c2)cc1
InChIInChI=1S/C28H27N3O4/c1-3-15-34-24-9-7-20(8-10-24)18-29-28(32)22-6-4-5-21(16-22)26-17-27(31-19-30-26)35-25-13-11-23(33-2)12-14-25/h4-14,16-17,19H,3,15,18H2,1-2H3,(H,29,32)
InChIKeyFAJLJZRVUPEIOY-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

3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide
CID 53021217
N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide
CID 53021354
N-butan-2-yl-3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021179
N-[[4-(diethylamino)phenyl]methyl]-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115089
N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53011044
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
3-[6-(4-methoxyphenyl)pyrimidin-4-yl]oxy-N-pentylbenzamide
CID 53011517
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
3-[4-(3-methoxyphenoxy)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 46386633
N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(4-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53021089
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116689

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide?
The IUPAC name of 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide (CID 53115145) is 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide.
What is the SMILES notation for 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide?
The canonical SMILES for 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide is CCCOc1ccc(CNC(=O)c2cccc(-c3cc(Oc4ccc(OC)cc4)ncn3)c2)cc1.
What is the InChIKey of 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide?
The InChIKey is FAJLJZRVUPEIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-3-15-34-24-9-7-20(8-10-24)18-29-28(32)22-6-4-5-21(16-22)26-17-27(31-19-30-26)35-25-13-11-23(33-2)12-14-25/h4-14,16-17,19H,3,15,18H2,1-2H3,(H,29,32).
What are the key properties of 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide?
3-[6-(4-methoxyphenoxy)pyrimidin-4-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 3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide is sourced from PubChem (CID 53115145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).